SCHEMBL4901141

SCHEMBL4901141

C[C@H]1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(OCCCCBr)c2)c2ccccc2N1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.38
OXTR P30559 1/20 0.37
ROCK2 O75116 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
MAPK14 Q16539 2/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
TGFBR1 P36897 1/20 0.35

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
SCHEMBL4909405 0.99 GHSR (0.37) GHSROXTRROCK2GPBAR1MAPK14
SCHEMBL4910841 0.98 GHSR (0.38) GHSROXTRROCK2GPBAR1MAPK14
SCHEMBL4901709 0.93 GHSR (0.37) GHSROXTRROCK2GPBAR1MAPK14
SCHEMBL4911687 0.93 GHSR (0.41) GHSROXTRROCK2GPBAR1MAPK14
SCHEMBL4909962 0.93 GHSR (0.39) GHSROXTRROCK2GPBAR1MAPK14
SCHEMBL4911103 0.93 GHSR (0.37) GHSROXTRROCK2GPBAR1MAPK14
SCHEMBL4911871 0.93 GHSR (0.37) GHSROXTRROCK2GPBAR1MAPK14
SCHEMBL4911956 0.92 GHSR (0.38) GHSROXTRROCK2GPBAR1MAPK14
SCHEMBL4907961 0.92 GHSR (0.38) GHSROXTRROCK2GPBAR1MAPK14
SCHEMBL4901046 0.92 GHSR (0.38) GHSROXTRROCK2GPBAR1MAPK14

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 GHSR 405/4885OXTR 908/4885ROCK2 4050/4885

“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.