SCHEMBL4901709

SCHEMBL4901709

CC1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(OCCCCN)c2)c2ccccc2N1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.37
GPBAR1 Q8TDU6 2/20 0.37
OXTR P30559 1/20 0.36
ROCK2 O75116 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
TGFBR1 P36897 1/20 0.36
MAPK14 Q16539 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 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
SCHEMBL4911103 0.99 GHSR (0.37) GHSRGPBAR1OXTRROCK2SMYD3
SCHEMBL4911871 0.99 GHSR (0.37) GHSRGPBAR1OXTRROCK2SMYD3
SCHEMBL4911956 0.98 GHSR (0.38) GHSRGPBAR1OXTRROCK2SMYD3
SCHEMBL4901046 0.98 GHSR (0.38) GHSRGPBAR1OXTRROCK2SMYD3
SCHEMBL4907961 0.98 GHSR (0.38) GHSRGPBAR1OXTRROCK2SMYD3
SCHEMBL4909712 0.95 GHSR (0.40) GHSRGPBAR1OXTRROCK2TGFBR1
SCHEMBL4901141 0.93 GHSR (0.38) GHSRGPBAR1OXTRROCK2TGFBR1
SCHEMBL4909405 0.93 GHSR (0.37) GHSRGPBAR1OXTRROCK2TGFBR1
SCHEMBL4911687 0.92 GHSR (0.41) GHSRGPBAR1OXTRROCK2MAPK14
SCHEMBL4909962 0.92 GHSR (0.39) GHSRGPBAR1OXTRROCK2TGFBR1

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
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
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
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
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 405/4885GPBAR1 52/4885OXTR 908/4885

“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.