SCHEMBL4117293

SCHEMBL4117293

CCCCc1ccc(NC(=O)Nc2ccc(CC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.68
CA1 P00915 3/20 0.68
CA2 P00918 3/20 0.68
CA9 Q16790 3/20 0.68
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
POLB P06746 1/20 0.64
GAA P10253 1/20 0.61
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.58

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
SCHEMBL15094124 0.95 CA12 (0.74) CA12CA1CA2CA9RAB9A
SCHEMBL4106216 0.89 RAB9A (0.67) CA12CA1CA2CA9RAB9A
SCHEMBL15093703 0.89 CA12 (0.73) CA12CA1CA2CA9RAB9A
SCHEMBL4112811 0.88 CA12 (0.67) CA12CA1CA2CA9RAB9A
SCHEMBL4107205 0.88 TRPV1 (0.72) CA12CA1CA2CA9RAB9A
SCHEMBL11361435 0.88 CA12 (0.76) CA12CA1CA2CA9RAB9A
SCHEMBL11349336 0.88 CA12 (0.76) CA12CA1CA2CA9RAB9A
SCHEMBL15093871 0.88 CA12 (0.76) CA12CA1CA2CA9RAB9A
SCHEMBL11352018 0.88 CA12 (0.76) CA12CA1CA2CA9RAB9A
SCHEMBL11353893 0.88 CA12 (0.76) CA12CA1CA2CA9RAB9A

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 CA12 4452/4885CA1 3551/4885CA2 4345/4885

“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.