SCHEMBL4116643

SCHEMBL4116643

CC(C)Oc1cccc(NC(=O)Nc2ccc(F)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.70
CNR1 P21554 2/20 0.66
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
CDK8 P49336 1/20 0.58
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
MAPT P10636 5/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.53
HTT P42858 3/20 0.53
MAPK1 P28482 2/20 0.53
LMNA P02545 2/20 0.53
STAT1 P42224 1/20 0.53
AHR P35869 1/20 0.53
ALDH1A1 P00352 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
SCHEMBL4110991 0.91 MEN1 (0.63) CA2CNR1TP53TSHRCDK8
SCHEMBL4105824 0.90 CA2 (0.61) CA2CNR1TP53TSHRCDK8
SCHEMBL4104406 0.89 CA2 (0.71) CA2CNR1TP53TSHRNPC1
SCHEMBL4104672 0.89 MEN1 (0.63) CA2CNR1TP53TSHRCDK8
SCHEMBL4112288 0.89 CNR1 (0.63) CA2CNR1TP53TSHRCDK8
SCHEMBL4112018 0.88 CA2 (0.70) CA2CNR1TP53TSHRCDK8
SCHEMBL4112840 0.88 GLA (0.63) CA2TP53NPC1RAB9AMAPT
SCHEMBL4125153 0.87 MAPT (0.67) CA2CNR1TP53TSHRCDK8
SCHEMBL4104472 0.87 MAPT (0.67) CA2CNR1TP53TSHRCDK8
SCHEMBL4105995 0.87 TP53 (0.81) CA2CNR1TP53TSHRCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US claimed
EP-1804785-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2007-07-11 EP claimed
WO-2006049941-A2 DIARYL UREAS AS CB1 ANTAGONISTS NEUROGEN CORPORATION (US) 2006-05-11 WO claimed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 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-20090239841-A1 Diaryl Ureas as CB1 Antagonists CNR1, CNR2, OPRL1 CA2 4345/4885CNR1 1/4885TP53 4802/4885

“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.