SCHEMBL1101976

SCHEMBL1101976

CN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
SIGMAR1 Q99720 3/20 0.66
HTR3E A5X5Y0 1/20 0.66
HTR3B O95264 1/20 0.66
HTR1D P28221 1/20 0.66
HTR2C P28335 1/20 0.66
HTR3A P46098 1/20 0.66
HTR3D Q70Z44 1/20 0.66
HTR3C Q8WXA8 1/20 0.66
MAPT P10636 2/20 0.64
THRB P10828 1/20 0.64
ADRA2C P18825 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 3/20 0.57
LMNA P02545 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
NFKB1 P19838 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8576623 0.98 ALDH1A1 (0.72) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL28226906 0.91 ALDH1A1 (0.77) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL7612867 0.91 ALDH1A1 (0.63) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL11947326 0.84 ADRA2C (0.61) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL12706910 0.84 ALDH1A1 (0.72) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL10294005 0.83 ALDH1A1 (0.62) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL2927397 0.83 ALDH1A1 (0.77) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL7295918 0.83 ALDH1A1 (0.66) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL9362589 0.83 ALDH1A1 (0.66) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D
SCHEMBL27016806 0.83 ALDH1A1 (0.66) ALDH1A1SIGMAR1HTR3EHTR3BHTR1D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 142 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
US-20230212121-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS TRINEURO (KR) 2023-07-06 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230015617-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2023-01-19 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-20220411383-A1 AMINOPYRAZINE DERIVATIVES AS PI3K-y INHIBITORS INCYTE CORPORATION 2022-12-29 US disclosed
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones Impact Therapeutics (Shanghai), Inc (CN) 2022-05-31 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
WO-2021241875-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS 재단법인 대구경북첨단의료산업진흥재단 2021-12-02 WO disclosed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 US disclosed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 US disclosed
US-7220765-B2 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 2007-05-22 US disclosed
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2007-02-22 US disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
WO-2003011396-A1 TETRAHYDROINDOLONE AND PURINE DERIVATIVES LINKED TO ARYLPIPERAZINES NEOTHERAPEUTICS, INC. (US) 2003-02-13 WO disclosed
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230212121-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING MENTAL ILLNESS SLC6A2, SLC6A3, SLC6A4 ALDH1A1 1394/4885SIGMAR1 146/4885HTR3E 218/4885
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 ALDH1A1 1311/4885SIGMAR1 4503/4885HTR3E 2681/4885
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 ALDH1A1 1361/4885SIGMAR1 1845/4885HTR3E 2553/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 ALDH1A1 2811/4885SIGMAR1 1418/4885HTR3E 1332/4885
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SSTR2, SSTR5, SSTR3 ALDH1A1 812/4885SIGMAR1 216/4885HTR3E 135/4885
US-20230015617-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 ALDH1A1 1599/4885SIGMAR1 667/4885HTR3E 1238/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ALDH1A1 3448/4885SIGMAR1 4728/4885HTR3E 4823/4885
US-20220411383-A1 AMINOPYRAZINE DERIVATIVES AS PI3K-y INHIBITORS PIK3R5, PIK3CD, PIK3CG ALDH1A1 3446/4885SIGMAR1 2089/4885HTR3E 3725/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS ALDH1A1 3448/4885SIGMAR1 4728/4885HTR3E 4823/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS ALDH1A1 3448/4885SIGMAR1 4728/4885HTR3E 4823/4885
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE PYCR1, PRMT9, PRLHR ALDH1A1 513/4885SIGMAR1 1297/4885HTR3E 2117/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.