SCHEMBL321658

SCHEMBL321658

c1cc2ccoc2c(N2CCNCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.59
DYRK1A Q13627 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL8563865 0.87 HRH4 (0.47) HTR2C
SCHEMBL3675952 0.81 HRH4 (0.56) HTR2C
SCHEMBL3683893 0.80 HTR2C (0.47) HTR2C
SCHEMBL1026755 0.74 HTR2C (1.00) HTR2CDYRK1A
SCHEMBL30297584 0.74 HTR2C (1.00) HTR2CDYRK1A
SCHEMBL4312038 0.74 HTR2C (0.43) HTR2C
SCHEMBL3681983 0.73 HTR2C (0.63) HTR2C
SCHEMBL13116668 0.72 HTR2C (0.56) HTR2C
SCHEMBL3680133 0.72 HTR2C (0.67) HTR2C
SCHEMBL2076366 0.72 HTR2C (1.00) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-2590984-B1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-01-28 EP disclosed
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-8470828-B2 Anellated pyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
EP-2590984-A1 ANELLATED PYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-15 EP disclosed
WO-2012004206-A1 ANELLATED PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO disclosed
US-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-01-12 US disclosed
US-8039486-B2 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-8039486-B2 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 US disclosed
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 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
EP-1078928-B1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-05-12 EP disclosed
US-6486171-B2 USEFUL IN THE TREATMENT OF SOME CENTRAL NERVOUS SYSTEM DISORDERS INCLUDING AS AN ANTIDEPRESSANT; 4-(1-(2-NAPHTHYL)ETHYL)-4- PIPERIDINYL)THIENO(3,2-C)PYRIDINE, FOR EXAMPLE LES LABORATOIRES SERVIER (FR) 2002-11-26 US disclosed
US-20020161228-A1 Piperidine compounds ADIR ET COMPAGNIE 2002-10-31 US disclosed
US-6399616-B1 4-(4-(2-(5-(1,2,4-TRIAZOL-1-YLMETHYL)-1H-INDOL-3-YL)ETHYL)-1 -PIPERAZINYL)FURO(3,2-C)PYRIDINE; COMBINED SEROTONIN REUPTAKE INHIBITOR AND PARTIAL AGONIST OF 5-HT RECEPTORS; REDUCED LATENCY; DEPRESSION LES LABORATOIRES SERVIER (FR) 2002-06-04 US disclosed
EP-1078928-A1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-02-28 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 (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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A HTR2C 14/4885DYRK1A 1142/4885
US-20020161228-A1 Piperidine compounds OTC, NPPA, AQP4 HTR2C 1212/4885DYRK1A 3903/4885
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES IDO2, IDO1, INMT HTR2C 232/4885DYRK1A 3163/4885
US-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A HTR2C 10/4885DYRK1A 264/4885

“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.