SCHEMBL4127733

SCHEMBL4127733

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)CCC2

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.77
NPC1 O15118 9/20 0.69
RAB9A P51151 9/20 0.69
POLB P06746 4/20 0.69
EPHX2 P34913 3/20 0.68
TDP1 Q9NUW8 1/20 0.64
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
CASP3 P42574 2/20 0.58
SENP7 Q9BQF6 2/20 0.58
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
P2RY1 P47900 2/20 0.56
EPHX1 P07099 1/20 0.55
FAAH O00519 1/20 0.54

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
SCHEMBL8118107 0.83 EPHX2 (0.61) TRPV1NPC1RAB9APOLBEPHX2
SCHEMBL11555827 0.82 EPHX2 (1.00) TRPV1NPC1RAB9AEPHX2TDP1
SCHEMBL17478545 0.82 EPHX2 (0.57) TRPV1EPHX2EPHX1
SCHEMBL17478562 0.82 EPHX2 (0.57) TRPV1EPHX2EPHX1
SCHEMBL4106288 0.82 NPC1 (1.00) NPC1RAB9APOLBTDP1MEN1
SCHEMBL13355321 0.82 NPC1 (0.71) NPC1RAB9APOLBEPHX2TDP1
SCHEMBL4117365 0.81 NPC1 (0.69) NPC1RAB9APOLBTDP1MEN1
SCHEMBL4110447 0.80 NPC1 (1.00) NPC1RAB9APOLBTDP1MEN1
SCHEMBL4115937 0.78 NPC1 (1.00) NPC1RAB9APOLBTDP1MEN1
SCHEMBL31054230 0.78 NPC1 (1.00) NPC1RAB9APOLBTDP1MEN1

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-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 TRPV1 169/4885NPC1 927/4885RAB9A 815/4885

“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.