SCHEMBL4913083

SCHEMBL4913083

CC(C)C1CCN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)c(N)c2)c2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.41
AR P10275 1/20 0.37
GHSR Q92847 3/20 0.37
HSD11B1 P28845 2/20 0.36
PTGS2 P35354 1/20 0.36
XIAP P98170 1/20 0.36
MAPK14 Q16539 2/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
CHRM2 P08172 1/20 0.36
FASN P49327 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAP3K11 Q16584 1/20 0.35
GPBAR1 Q8TDU6 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
SCHEMBL4912363 0.90 OXTR (0.41) OXTRARGHSRHSD11B1MAPK14
SCHEMBL4912751 0.90 OXTR (0.41) OXTRARGHSRHSD11B1MAPK14
SCHEMBL4901059 0.90 OXTR (0.41) OXTRARGHSRHSD11B1MAPK14
SCHEMBL4912192 0.88 OXTR (0.39) OXTRARGHSRHSD11B1MAPK14
SCHEMBL4912066 0.87 OXTR (0.39) OXTRGHSRHSD11B1XIAPMAPK14
SCHEMBL14258931 0.81 OXTR (0.42) OXTRARGHSRHSD11B1MAPK14
SCHEMBL14258933 0.81 OXTR (0.42) OXTRARGHSRHSD11B1MAPK14
SCHEMBL4911012 0.81 OXTR (0.42) OXTRARGHSRHSD11B1MAPK14
SCHEMBL4912289 0.80 AR (0.41) OXTRARGHSRHSD11B1MAPK14
SCHEMBL4910842 0.80 TGFBR1 (0.35) OXTRARGHSRXIAPMAPK14

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 OXTR 908/4885AR 633/4885GHSR 405/4885

“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.