SCHEMBL317705

SCHEMBL317705

CCCCOC(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.57
HTR2A P28223 1/20 0.57
HTR7 P34969 1/20 0.57
OPRM1 P35372 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 4/20 0.55
OPRD1 P41143 1/20 0.55
OPRK1 P41145 1/20 0.55
MAPK1 P28482 2/20 0.55
PKM P14618 1/20 0.55
CHRM4 P08173 1/20 0.53
FAAH O00519 1/20 0.53
HRH2 P25021 1/20 0.53
HRH1 P35367 1/20 0.53
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ABL1 P00519 1/20 0.52

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
SCHEMBL3578494 0.88 ACHE (0.58) KMT2AALDH1A1CHRM4SMN1; SMN2KDM4E
SCHEMBL3309672 0.88 ALDH1A1 (0.54) KMT2AALDH1A1OPRD1OPRK1CHRM4
SCHEMBL31277295 0.88 MAPK1 (0.51) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL7475308 0.87 ALDH1A1 (0.70) ALDH1A1MAPK1PKMSMN1; SMN2KDM4E
SCHEMBL15569567 0.87 HRH2 (0.50) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL7299227 0.86 L3MBTL1 (0.59) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL16830452 0.85 MC4R (0.60) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL16830453 0.84 MC4R (0.56) ADORA3HTR2AHTR7OPRM1SIGMAR1
SCHEMBL18059940 0.84 KDM4E (0.55) KMT2AMEN1ALDH1A1MAPK1HRH2
SCHEMBL4710098 0.83 ALDH1A1 (0.48) ADORA3HTR2AHTR7OPRM1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417128-B1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES AS ADP RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-02 EP disclosed
EP-2081903-B1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-05-07 EP disclosed
US-8518912-B2 Phosphonic acid derivates and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-08-27 US disclosed
US-8288385-B2 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
EP-2225253-B1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-27 EP disclosed
EP-2417128-A2 6-(3-AZA-BICYCLOÝ3.1.0¨HEX-3-YL)-2-PHENYL-PYRIMIDINES Actelion Pharmaceuticals Ltd. (CH) 2012-02-15 EP disclosed
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2012-02-02 US disclosed
US-8093250-B2 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-10 US disclosed
US-8044055-B2 2-phenyl-6-aminocarbonyl-pyrimidine derivatives and their use as P2Y12 receptor ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-25 US disclosed
WO-2010116328-A2 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2010-10-14 WO disclosed
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 US disclosed
EP-2225253-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
US-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-11 US disclosed
EP-2079711-B1 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-06 EP disclosed
US-20090291962-A1 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ACTELION PHARMACEUTICALS LTD. (CH) 2009-11-26 US disclosed
EP-2081903-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-29 EP disclosed
EP-2079711-A2 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP disclosed
WO-2009069100-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-04 WO disclosed
WO-2008050301-A2 2- PHENYL- 6-AMINOCARBONYL- PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-05-02 WO disclosed
WO-2008044217-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-17 WO 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-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES P2RY12, P2RY2, P2RY1 ADORA3 30/4885HTR2A 114/4885HTR7 291/4885
US-20090291962-A1 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR P2RY12, P2RY13, P2RY2 ADORA3 28/4885HTR2A 121/4885HTR7 203/4885
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 ADORA3 19/4885HTR2A 207/4885HTR7 677/4885
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES P2RY12, P2RY13, P2RY6 ADORA3 17/4885HTR2A 95/4885HTR7 144/4885

“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.