SCHEMBL3169031

SCHEMBL3169031

Cn1cnc2c(=O)n(-c3ccc(C#N)cc3)c(C3CCC(C(F)(F)F)CC3)nc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.36
DRD1 P21728 5/20 0.36
DRD5 P21918 5/20 0.36
CTSK P43235 2/20 0.35
HSD11B1 P28845 1/20 0.34
AVPR1A P37288 1/20 0.34
CYP11B2 P19099 1/20 0.33
USP14 P54578 1/20 0.33

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
SCHEMBL3169024 1.00 CTSS (0.36) CTSSDRD1DRD5CTSKHSD11B1
SCHEMBL3174616 0.90 CTSS (0.37) CTSSDRD1DRD5CTSKHSD11B1
SCHEMBL3174620 0.90 CTSS (0.37) CTSSDRD1DRD5CTSKHSD11B1
SCHEMBL3178189 0.88 DRD1 (0.38) DRD1DRD5
SCHEMBL3178194 0.88 DRD1 (0.38) DRD1DRD5
SCHEMBL3179577 0.87 DRD1 (0.44) DRD1DRD5AVPR1A
SCHEMBL3179574 0.87 DRD1 (0.44) DRD1DRD5AVPR1A
SCHEMBL3175509 0.81 PDE4B (0.37) DRD1DRD5
SCHEMBL3175515 0.81 PDE4B (0.37) DRD1DRD5
SCHEMBL3183911 0.81 PDE4B (0.37) DRD1DRD5

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 2 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 claimed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 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 (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-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES PIGS, GPR174, GPR17 CTSS 507/4885DRD1 1469/4885DRD5 1301/4885

“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.