SCHEMBL3680133

SCHEMBL3680133

c1cnc2c(N3CCNCC3)nccc2c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.67
HTR2A P28223 1/20 0.67
SLC6A4 P31645 1/20 0.67
EPHX2 P34913 1/20 0.56
PRKD1 Q15139 1/20 0.50
PLD1 Q13393 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR1A P08908 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48

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 SCHEMBL8597079 0.98 HTR2C (0.65) HTR2CHTR2ASLC6A4EPHX2PRKD1
SCHEMBL30822012 0.83 CYP1A2 (0.53) HTR2CHTR2ASLC6A4KDM4EALDH1A1
SCHEMBL10495676 0.81 HTR2C (0.68) HTR2CHTR2ASLC6A4EPHX2PLD1
SCHEMBL1045944 0.80 HTR2A (1.00) HTR2CHTR2ASLC6A4EPHX2PLD1
SCHEMBL30040877 0.80 HTR2C (1.00) HTR2CHTR2AKDM4EALDH1A1HTR3E
SCHEMBL2076366 0.80 HTR2C (1.00) HTR2CHTR2AKDM4EALDH1A1HTR3E
SCHEMBL3688963 0.80 HRH4 (0.67) HTR2CKDM4EHTR3EHTR3BHTR1A
Hydrochloric Acid SCHEMBL1532881 0.79 HTR2C (0.97) HTR2CHTR2AKDM4EALDH1A1HTR3E
Hydrochloric Acid SCHEMBL1048620 0.79 HTR2A (0.97) HTR2CHTR2ASLC6A4EPHX2KDM4E
SCHEMBL30600701 0.78 GRM4 (0.52) HTR2CHTR2ASLC6A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4866176-A ANTIINFLAMMATORY, ANTIARRHYTHMIA, CARDIOTONIC AGENTS SS PHARMACEUTICAL CO., LTD. (JP) 1989-09-12 US claimed
EP-0256556-A1 8-Piperazinyl-1,7-naphthyridine derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1988-02-24 EP claimed
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-7799775-B2 such as 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)propylthio]-3H-thieno[2,3-d]pyrimidin-4-one, having serotonin receptor modulatory activity, used for treating irritable bowel syndrome ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
US-20070197551-A1 Pyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-23 US disclosed
EP-1724267-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2006-11-22 EP disclosed
US-4866176-A ANTIINFLAMMATORY, ANTIARRHYTHMIA, CARDIOTONIC AGENTS SS PHARMACEUTICAL CO., LTD. (JP) 1989-09-12 US disclosed
US-4866176-A ANTIINFLAMMATORY, ANTIARRHYTHMIA, CARDIOTONIC AGENTS SS PHARMACEUTICAL CO., LTD. (JP) 1989-09-12 US disclosed
US-4866176-A ANTIINFLAMMATORY, ANTIARRHYTHMIA, CARDIOTONIC AGENTS SS PHARMACEUTICAL CO., LTD. (JP) 1989-09-12 US disclosed
EP-0256556-A1 8-Piperazinyl-1,7-naphthyridine derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1988-02-24 EP disclosed
EP-0256556-A1 8-Piperazinyl-1,7-naphthyridine derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1988-02-24 EP disclosed
EP-0256556-A1 8-Piperazinyl-1,7-naphthyridine derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1988-02-24 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 (1 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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A HTR2C 14/4885HTR2A 12/4885SLC6A4 41/4885

“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.