SCHEMBL3224199

SCHEMBL3224199

NCCC(N)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 1/20 0.45
TSHR P16473 2/20 0.44
KCNA5 P22460 5/20 0.43
KCNE1 P15382 2/20 0.43
CYP2D6 P10635 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
CHRM2 P08172 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
KCNH2 Q12809 1/20 0.42

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 SCHEMBL28631671 0.98 HRH1 (0.44) HRH1SLC6A2SLC6A4SLC6A3TSHR
Hydrochloric Acid SCHEMBL5846124 0.98 HRH1 (0.44) HRH1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL28685512 0.90 HRH1 (0.44) HRH1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL5024095 0.89 HRH1 (0.47) HRH1SLC6A2SLC6A4SLC6A3TSHR
Hydrochloric Acid SCHEMBL5845025 0.89 HRH1 (0.43) HRH1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL4582241 0.87 HRH1 (0.50) HRH1SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL21751670 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL22559174 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL30867636 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL20993212 0.85 SLC6A2 (0.47) HRH1SLC6A2SLC6A4SLC6A3TSHR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714395-B1 VASOCONSTRICTIVE SUBSTITUTED DIHYDROPYRANOPYRIDINES JANSSEN PHARMACEUTICA NV (BE) 1999-03-31 EP claimed
EP-3860979-A2 CATALYST COMPOSITION University College Cardiff Consultants Ltd (GB) 2021-08-11 EP disclosed
WO-2020070503-A2 CATALYST COMPOSITION UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD (GB) 2020-04-09 WO disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
EP-3294732-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Gilead Sciences, Inc. (US) 2018-03-21 EP disclosed
WO-2016186967-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES, INC. (US) 2016-11-24 WO disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
EP-2970200-A1 PYRIDINE CDK9 KINASE INHIBITORS Abbvie Inc. (US) 2016-01-20 EP disclosed
WO-2014160017-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 WO disclosed
US-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands GENESTE HERVE 2010-02-25 US disclosed
US-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed
US-20040077638-A1 Novel integrin receptor antagonists BASF AKTIENGESELLCHAFT (DE) 2004-04-22 US disclosed
EP-1202988-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-08 EP disclosed
WO-2001010847-A2 NOVEL INTEGRIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2001-02-15 WO disclosed
EP-0714395-B1 VASOCONSTRICTIVE SUBSTITUTED DIHYDROPYRANOPYRIDINES JANSSEN PHARMACEUTICA NV (BE) 1999-03-31 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 (3 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-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands ITGB3, ITGAL, ITGB4 HRH1 1234/4885SLC6A2 3347/4885SLC6A4 2712/4885
US-20040077638-A1 Novel integrin receptor antagonists ITGB3, ITGAV, ITGA2B HRH1 2008/4885SLC6A2 3719/4885SLC6A4 4050/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT HRH1 152/4885SLC6A2 2894/4885SLC6A4 1412/4885

“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.