SCHEMBL4909665

SCHEMBL4909665

Cc1ccc2c(c1)NC(C)CC(=O)N2

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.65
CREBBP Q92793 15/20 0.65
EP300 Q09472 1/20 0.65
EPHX2 P34913 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
MMP12 P39900 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
SCHEMBL20611723 0.83 CREBBP (0.51) BRD4CREBBPEP300EPHX2SIRT1
SCHEMBL17673137 0.82 CREBBP (0.63) BRD4CREBBPEP300
SCHEMBL17749826 0.82 BRD4 (0.63) BRD4CREBBPEP300
SCHEMBL19518213 0.82 CREBBP (0.63) BRD4CREBBPEP300
SCHEMBL19651828 0.80 CREBBP (0.60) BRD4CREBBPEP300
SCHEMBL4902318 0.79 CREBBP (1.00) BRD4CREBBPEP300
SCHEMBL17680234 0.79 CREBBP (1.00) BRD4CREBBPEP300
SCHEMBL17680584 0.79 CREBBP (1.00) BRD4CREBBPEP300
SCHEMBL22868112 0.76 ACHE (0.46) BRD4CREBBPEP300EPHX2
SCHEMBL15918985 0.75 CREBBP (0.56) BRD4CREBBPEP300EPHX2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 EP disclosed
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 EP disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 BRD4 295/4885CREBBP 577/4885EP300 3151/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 BRD4 1/4885CREBBP 34/4885EP300 7/4885

“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.