SCHEMBL3679735

SCHEMBL3679735

CN1CCN(c2nccc3occc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.69
HRH4 Q9H3N8 1/20 0.58
DRD2 P14416 7/20 0.53
HTR2A P28223 7/20 0.53
DRD3 P35462 7/20 0.53
PHGDH O43175 1/20 0.51

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
SCHEMBL15971536 0.86 HTR2C (0.73) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL15971496 0.85 HTR2C (0.71) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL14983624 0.84 HTR2C (0.62) HTR2CHRH4DRD2HTR2ADRD3
SCHEMBL15971543 0.84 HTR2C (0.62) HTR2CHRH4DRD2HTR2ADRD3
SCHEMBL28038474 0.83 HTR2C (0.69) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL4935508 0.83 HTR2C (0.69) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL1601087 0.83 HTR2C (0.69) HTR2CDRD2HTR2ADRD3PHGDH
SCHEMBL15971545 0.83 HTR2C (0.64) HTR2CHRH4DRD2HTR2ADRD3
SCHEMBL11835040 0.82 DRD2 (0.61) HTR2CDRD2HTR2ADRD3
SCHEMBL1026755 0.82 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287589-A1 SUBSTITUTED-IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-06 US disclosed
US-20160287589-A1 SUBSTITUTED-IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-06 US disclosed
US-20160287589-A1 SUBSTITUTED-IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-06 US disclosed
EP-2958920-A1 SUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AS MKNK1 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2015-12-30 EP disclosed
US-9034850-B2 Gonadotropin releasing hormone receptor antagonist, preparation method thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2015-05-19 US disclosed
WO-2014128093-A1 SUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AS MKNK1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-28 WO disclosed
WO-2014128093-A1 SUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AS MKNK1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-28 WO disclosed
EP-1724267-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2013-11-06 EP disclosed
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same SK CHEMICALS CO. LTD. (KR) 2013-05-30 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-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

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-20070197551-A1 Pyrimidine derivatives HTR3B, HTR3A, HTR1A HTR2C 14/4885HRH4 38/4885DRD2 172/4885
US-20130137661-A1 Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same GNRHR, GHRHR, LHCGR HTR2C 541/4885HRH4 539/4885DRD2 743/4885
US-20160287589-A1 SUBSTITUTED-IMIDAZOPYRIDAZINES CCNI, F12, MKI67 HTR2C 2049/4885HRH4 129/4885DRD2 1422/4885

“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.