SCHEMBL4098244

SCHEMBL4098244

CC(C)c1ccc(CC2N=C(c3ccc(F)cc3)c3cc(Cl)ccc3NC2=O)cc1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 4/20 0.56
CHRM1 P11229 2/20 0.48
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
ALB P02768 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL4100098 0.91 CCKBR (0.56) CCKBRCHRM1MEN1LMNAALB
SCHEMBL4105677 0.90 CCKBR (0.58) CCKBRCHRM1MEN1LMNAALB
SCHEMBL3235912 0.87 CCKBR (0.57) CCKBRCHRM1MEN1LMNAALB
SCHEMBL3241207 0.86 CCKBR (0.57) CCKBRCHRM1MEN1LMNAALB
SCHEMBL3235835 0.86 CCKBR (0.59) CCKBRCHRM1MEN1LMNAALB
SCHEMBL3224653 0.86 CCKBR (0.53) CCKBRCHRM1MEN1LMNAALB
SCHEMBL3238742 0.85 CCKBR (0.55) CCKBRCHRM1MEN1LMNAALB
SCHEMBL3225855 0.85 CCKBR (0.55) CCKBRCHRM1MEN1LMNAALB
SCHEMBL3235841 0.85 CCKBR (0.54) CCKBRCHRM1MEN1LMNAALB
SCHEMBL3229900 0.85 CCKBR (0.61) CCKBRCHRM1MEN1LMNAALB

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-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US claimed
US-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-05-07 US claimed

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-20090118244-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB CCKBR 1128/4885CHRM1 1396/4885MEN1 4607/4885
US-20130274197-A1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS RORC, RORA, RORB CCKBR 1128/4885CHRM1 1396/4885MEN1 4607/4885

“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.