Sugi Predict

Sugi Predict / Compounds / SCHEMBL1384498

SCHEMBL1384498

SCHEMBL1384498

CN1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.65
▸ ADRA2C P18825 1/20 0.65
▸ ALDH1A1 P00352 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ HTR3E A5X5Y0 2/20 0.64
▸ HTR3B O95264 2/20 0.64
▸ HTR3A P46098 2/20 0.64
▸ HTR3D Q70Z44 2/20 0.64
▸ HTR3C Q8WXA8 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ ALOX12 P18054 1/20 0.64
▸ HTT P42858 2/20 0.63
▸ GAA P10253 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ BCL2A1 Q16548 1/20 0.63
▸ TP53 P04637 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ ADRB1 P08588 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62

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
SCHEMBL6714846 0.90 ALDH1A1 (0.75) KCNH2ALDH1A1MAPTSMN1; SMN2HTR3E
SCHEMBL11100857 0.90 ALDH1A1 (0.75) KCNH2ALDH1A1MAPTSMN1; SMN2HTR3E
SCHEMBL9646111 0.84 ALDH1A1 (0.73) KCNH2ALDH1A1MAPTSMN1; SMN2HTR3E
SCHEMBL29595602 0.82 HTR3E (0.69) KCNH2ALDH1A1MAPTSMN1; SMN2HTR3E
SCHEMBL1822683 0.82 HTR3E (0.69) KCNH2ALDH1A1MAPTSMN1; SMN2HTR3E
SCHEMBL26770369 0.82 HTR3E (0.69) KCNH2ALDH1A1MAPTSMN1; SMN2HTR3E
SCHEMBL30407444 0.82 HTR3E (0.69) KCNH2ALDH1A1MAPTSMN1; SMN2HTR3E
SCHEMBL8467046 0.81 KCNH2 (0.74) KCNH2HTR1AHTR7SIGMAR1
SCHEMBL30764776 0.81 KCNH2 (0.74) KCNH2HTR1AHTR7SIGMAR1
SCHEMBL11210900 0.81 ALDH1A1 (0.69) KCNH2ALDH1A1MAPTSMN1; SMN2HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838121-B2 — — 2011-12-14 — — JP claimed
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 — — EP claimed
JP-2007521278-A — — 2007-08-02 — — JP claimed
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 — — EP claimed
US-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2005-03-03 — — US claimed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 — — WO claimed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 — — US disclosed
WO-2024118607-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CHDI FOUNDATION, INC. (US) 2024-06-06 — — WO disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 — — 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-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2022-04-26 — — US disclosed
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2021-01-07 — — US disclosed
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES Impact Therapeutics (Shanghai), Inc (CN) 2020-12-10 — — US disclosed
WO-2003011396-A1 TETRAHYDROINDOLONE AND PURINE DERIVATIVES LINKED TO ARYLPIPERAZINES NEOTHERAPEUTICS, INC. (US) 2003-02-13 — — WO disclosed
EP-0995741-A1 REMEDIES/PREVENTIVES FOR FREQUENT URINATION/URINARY INCONTINENCE AND TROPONE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2000-04-26 — — EP disclosed
US-5945421-A TREATING PSYCHOSIS AND SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 1999-08-31 — — US disclosed
US-5922874-A Process for preparing N-aryl-N'-alkyl-piperazines BAYER ATKIENGESELLSCHAFT (DE) 1999-07-13 — — US disclosed
EP-0895993-A1 Process for the preparation of N-aryl-N'aklyl-piperazines BAYER AG (DE) 1999-02-10 — — EP 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 (7 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-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 KCNH2 4254/4885ADRA2C 1390/4885ALDH1A1 2142/4885
US-20210002253-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK KCNH2 3872/4885ADRA2C 2503/4885ALDH1A1 2932/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK KCNH2 3872/4885ADRA2C 2503/4885ALDH1A1 2932/4885
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 KCNH2 2265/4885ADRA2C 2739/4885ALDH1A1 1361/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK KCNH2 3872/4885ADRA2C 2503/4885ALDH1A1 2932/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK KCNH2 3872/4885ADRA2C 2503/4885ALDH1A1 2932/4885
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 KCNH2 2265/4885ADRA2C 2739/4885ALDH1A1 1361/4885

“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.