SCHEMBL4907328

SCHEMBL4907328

CCN1CCC(OC(=O)c2cc(C(=O)N3CC[C@H](C)Nc4ccccc43)ccc2Br)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
RAD52 P43351 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32

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
SCHEMBL4910029 0.83 GPBAR1 (0.39) KDM4EALDH1A1MAPK1CYP1A2GPBAR1
SCHEMBL4901147 0.83 KDM4E (0.38) KDM4EALDH1A1MAPK1RAD52GPBAR1
SCHEMBL4911878 0.81 GPBAR1 (0.34) KDM4EALDH1A1MAPK1GPBAR1
SCHEMBL4906946 0.80 GPBAR1 (0.41) ALDH1A1MAPK1GPBAR1
SCHEMBL4902269 0.80 PTPN2 (0.35) KDM4EALDH1A1MAPK1CYP3A4GPBAR1
SCHEMBL4910046 0.78 BRD4 (0.36) KDM4EALDH1A1MAPK1CYP2D6GPBAR1
SCHEMBL4902302 0.76 TSHR (0.41) ALDH1A1MAPK1GPBAR1
SCHEMBL4907240 0.76 GPBAR1 (0.42) ALDH1A1MAPK1GPBAR1
SCHEMBL4912334 0.76 GPBAR1 (0.42) ALDH1A1MAPK1GPBAR1
SCHEMBL4910164 0.76 ALDH1A1 (0.37) ALDH1A1MAPK1GPBAR1

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-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 (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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 KDM4E 2138/4885ALDH1A1 492/4885MAPK1 1327/4885

“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.