SCHEMBL3175337

SCHEMBL3175337

O=c1c2ncn(C3CC3)c2nc([C@H]2CC[C@@H](C(F)(F)F)CC2)n1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.39
DRD5 P21918 4/20 0.39
CNR1 P21554 2/20 0.39
CTSL P07711 1/20 0.36
FLT3 P36888 2/20 0.35
KCNH2 Q12809 1/20 0.34
PDGFRA P16234 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
CHKA P35790 3/20 0.33
AVPR1A P37288 1/20 0.33
GRM1 Q13255 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
AOC2 O75106 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
SCHEMBL3175346 1.00 DRD1 (0.39) DRD1DRD5CNR1CTSLFLT3
SCHEMBL3175408 0.91 ALDH1A1 (0.35) DRD1DRD5KCNH2GRIA1GRIA2
SCHEMBL3175400 0.91 ALDH1A1 (0.35) DRD1DRD5KCNH2GRIA1GRIA2
SCHEMBL3179574 0.87 DRD1 (0.44) DRD1DRD5AVPR1AGRM1
SCHEMBL3179577 0.87 DRD1 (0.44) DRD1DRD5AVPR1AGRM1
SCHEMBL3176808 0.85 DRD1 (0.41) DRD1DRD5CNR1AVPR1ANPC1
SCHEMBL4515172 0.78 CNR1 (0.42) DRD1DRD5CNR1CTSLFLT3
SCHEMBL3178194 0.78 DRD1 (0.38) DRD1DRD5
SCHEMBL3169614 0.78 DRD1 (0.37) DRD1DRD5KCNH2AVPR1AGRM1
SCHEMBL3178189 0.78 DRD1 (0.38) 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 4 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
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

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 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.