SCHEMBL3176808

SCHEMBL3176808

CCn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(C3CCC(C(F)(F)F)CC3)nc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.41
DRD5 P21918 4/20 0.41
CNR1 P21554 3/20 0.36
YTHDC1 Q96MU7 1/20 0.35
PRKCA P17252 2/20 0.34
HIF1A Q16665 1/20 0.34
MCHR1 Q99705 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
AVPR1A P37288 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CDK1 P06493 2/20 0.33
CNR2 P34972 2/20 0.33
AOC3 Q16853 1/20 0.32

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
SCHEMBL4522200 0.92 DRD1 (0.41) DRD1DRD5CNR1PRKCAHIF1A
SCHEMBL3177139 0.91 CDK1 (0.38) DRD1DRD5PDE4APDE4BPDE4C
SCHEMBL3177134 0.91 CDK1 (0.38) DRD1DRD5PDE4APDE4BPDE4C
SCHEMBL3169408 0.90 YTHDC1 (0.35) DRD1DRD5YTHDC1PRKCAPDE4A
SCHEMBL3169414 0.90 YTHDC1 (0.35) DRD1DRD5YTHDC1PRKCAPDE4A
SCHEMBL4523465 0.89 DRD1 (0.43) DRD1DRD5CNR1PRKCAHIF1A
SCHEMBL4421685 0.89 DRD1 (0.51) DRD1DRD5CNR1PRKCAHIF1A
SCHEMBL3174616 0.89 CTSS (0.37) DRD1DRD5PRKCAPDE4APDE4B
SCHEMBL3174620 0.89 CTSS (0.37) DRD1DRD5PRKCAPDE4APDE4B
SCHEMBL3179577 0.88 DRD1 (0.44) DRD1DRD5AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US disclosed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US disclosed
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US 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 (2 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 DRD1 333/4885DRD5 695/4885CNR1 18/4885
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES PIGS, GPR174, GPR17 DRD1 1469/4885DRD5 1301/4885CNR1 14/4885

“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.