SCHEMBL21757192

SCHEMBL21757192

O=C(Nc1ccc(Cl)cc1)Nc1cccc(ON2CCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.60
CNR2 P34972 2/20 0.58
EPHX2 P34913 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
FAAH O00519 1/20 0.53
MAPT P10636 1/20 0.52
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL30469272 0.78 CNR1 (0.84) CNR1NPC1RAB9AMAPTTP53
SCHEMBL4117269 0.78 CNR1 (0.84) CNR1NPC1RAB9AMAPTTP53
SCHEMBL30469305 0.77 CNR1 (0.95) CNR1CNR2NPC1RAB9AFAAH
SCHEMBL20557639 0.77 CNR1 (0.95) CNR1CNR2NPC1RAB9AFAAH
SCHEMBL4106738 0.77 NPC1 (0.64) CNR1EPHX2NPC1RAB9AMAPT
SCHEMBL20557908 0.77 CNR1 (0.55) CNR1EPHX2NPC1RAB9AMAPT
SCHEMBL30469239 0.77 CNR1 (0.55) CNR1EPHX2NPC1RAB9AMAPT
SCHEMBL20557713 0.76 CNR1 (0.92) CNR1CNR2NPC1RAB9AFAAH
SCHEMBL30469227 0.76 CNR1 (0.92) CNR1CNR2NPC1RAB9AFAAH
SCHEMBL20557676 0.76 CNR1 (0.92) CNR1CNR2NPC1RAB9AFAAH

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-11084781-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE (US) 2021-08-10 US disclosed
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-27 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 (2 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-11084781-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885EPHX2 1805/4885
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 CNR1 1/4885CNR2 2/4885EPHX2 1805/4885

“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.