SCHEMBL5319

SCHEMBL5319

c1ccc(N2CC[N]CC2)nc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.63
KDM4E B2RXH2 4/20 0.56
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL15800694 0.87 PLD1 (0.73) PLD1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL21353591 0.87
SCHEMBL29857922 0.87 PLD1 (0.73) PLD1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL230367 0.83 PLD1 (0.68) PLD1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL157489 0.83 PLD1 (0.68) PLD1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL18228078 0.83 PLD1 (0.68) PLD1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL29462629 0.83 PLD1 (0.68) PLD1KDM4EGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL30476672 0.81 PLD1 (0.66) PLD1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL29389926 0.81 PLD1 (0.66) PLD1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL3154137 0.81 PLD1 (0.66) PLD1KDM4EGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761406-B Hydropyrido [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-04-19 CN claimed
US-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US claimed
EP-4100393-A1 NAMPT MODULATORS Cytokinetics, Inc. (US) 2022-12-14 EP claimed
CN-114761406-A Hydropyrido [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2022-07-15 CN claimed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
US-10155749-B2 Substituted benzimidazolium compounds useful in the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-12-18 US claimed
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 US claimed
EP-3245199-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2017-11-22 EP claimed
WO-2016113167-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-21 WO claimed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 US claimed
EP-0422843-A2 6-0 Methylerythromycin A oxime derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1991-04-17 EP claimed
US-4925841-A ANTICONVULSANTS TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1990-05-15 US claimed
EP-0354920-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1990-02-21 EP claimed
WO-1988007527-A1 AMINO-9,10-SECOSTEROIDS THE UPJOHN COMPANY (US) 1988-10-06 WO claimed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 EP claimed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 EP claimed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 WO claimed
US-4556656-A HYPOTENSIVE, ANTIPSYCHOTIC, DIABETIC, AND ANALGESIC AGENTS THE UPJOHN COMPANY (US) 1985-12-03 US claimed
US-4324786-A SEDATIVES, ANALGESICS, ANTIINFLAMMATORY, ANTIPYRETIC EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1982-04-13 US claimed

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

For each of this compound's patents that has machine-readable text (4 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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES TPSD1, TPSAB1, TMSB4X PLD1 4751/4885KDM4E 4386/4885GRIN2D 3228/4885
US-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 PLD1 3285/4885KDM4E 2721/4885GRIN2D 2680/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A PLD1 949/4885KDM4E 2520/4885GRIN2D 270/4885
US-10155749-B2 Substituted benzimidazolium compounds useful in the treatment of respiratory diseases TPSD1, TPSAB1, TMSB4X PLD1 4751/4885KDM4E 4386/4885GRIN2D 3228/4885

“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.