SCHEMBL4913115

SCHEMBL4913115

CNc1ccc(-c2ccc(C(=O)N3CC[C@H](C)Nc4ccccc43)cc2OCCCN2C(=O)CNC2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 7/20 0.34
CD274 Q9NZQ7 7/20 0.34
KMT2A Q03164 1/20 0.34
ROCK2 O75116 1/20 0.34
AVPR2 P30518 7/20 0.33
AVPR1A P37288 5/20 0.32
AVPR1B P47901 3/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
SPTLC2 O15270 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL14432413 0.86 ROCK2 (0.36) PDCD1CD274KMT2AROCK2AVPR2
SCHEMBL4910015 0.86 OXTR (0.37) KMT2AROCK2
SCHEMBL4907074 0.85 KMT2A (0.34) KMT2AROCK2AVPR1ASPTLC2KDM4E
SCHEMBL4910971 0.84 AVPR2 (0.38) PDCD1CD274ROCK2AVPR2AVPR1A
SCHEMBL4910044 0.84 AVPR2 (0.38) PDCD1CD274ROCK2AVPR2AVPR1A
SCHEMBL4908675 0.84 KDM4E (0.43) AVPR2KDM4EALDH1A1
SCHEMBL4912248 0.81 ALDH1A1 (0.39) PDCD1CD274KMT2AROCK2AVPR2
SCHEMBL4913128 0.79 PDCD1 (0.38) PDCD1CD274ROCK2AVPR2AVPR1A
SCHEMBL4907009 0.79 ALDH1A1 (0.38) PDCD1CD274KMT2AROCK2AVPR2
SCHEMBL4907017 0.79 ROCK2 (0.38) PDCD1CD274KMT2AROCK2AVPR2

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 4 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

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 PDCD1 3023/4885CD274 2327/4885KMT2A 2872/4885

“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.