SCHEMBL1995106

SCHEMBL1995106

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(N3CCC(F)(F)CC3)nc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.45
TSHR P16473 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 3/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL1997995 0.89 ALDH1A1 (0.48) TSHRKDM4EALDH1A1MEN1CYP1A2
SCHEMBL1992288 0.89 CNR2 (0.44) CNR2TSHRKDM4EALDH1A1MEN1
SCHEMBL1991743 0.83 ALDH1A1 (0.40) CNR2TSHRKDM4EALDH1A1MEN1
SCHEMBL4515104 0.81 DRD1 (0.41) CNR2TSHRKDM4EALDH1A1CNR1
SCHEMBL1998159 0.81 CNR2 (0.38) CNR2TSHRKDM4EALDH1A1MEN1
SCHEMBL5435977 0.80 HSD11B1 (0.47) GAACNR1
SCHEMBL4521605 0.80 DRD1 (0.43) CNR2TSHRKMT2ANPSR1CNR1
SCHEMBL1994026 0.80 ALDH1A1 (0.45) CNR2TSHRKDM4EALDH1A1MEN1
SCHEMBL2000177 0.80 ALDH1A1 (0.44) CNR2TSHRKDM4EALDH1A1MEN1
SCHEMBL1991529 0.79 KDM4E (0.38) CNR2TSHRKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866310-B1 2,3-SUBSTITUTED FUSED PYRIMIDIN-4(3H)-ONES AS VR1 ANTAGONISTS MERCK SHARP & DOHME (GB) 2012-07-11 EP disclosed
US-20110152242-A1 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists MERCK SHARP & DOHME LTD. (GB) 2011-06-23 US disclosed
EP-1866310-A1 2,3-SUBSTITUTED FUSED PYRIMIDIN-4(3H)-ONES AS VR1 ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-12-19 EP disclosed
WO-2006100520-A1 2,3-SUBSTITUTED FUSED PYRIMIDIN-4(3H)-ONES AS VR1 ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-09-28 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 (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-20110152242-A1 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists NR2C2, NR3C2, NR2E3 CNR2 56/4885TSHR 161/4885KDM4E 4398/4885

“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.