SCHEMBL13737196

SCHEMBL13737196

NC(=O)c1ccc2c(c1)C(Cc1cccc(F)c1)NCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.46
OPRD1 P41143 4/20 0.46
OPRK1 P41145 4/20 0.46
MAOB P27338 1/20 0.42
PARP10 Q53GL7 1/20 0.42
KDM1A O60341 1/20 0.41
PARP1 P09874 1/20 0.41
ACHE P22303 1/20 0.41
ADRB2 P07550 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC22A1 O15245 1/20 0.38
PRCP P42785 1/20 0.38
ABL1 P00519 1/20 0.37
ALPL P05186 1/20 0.37
GAA P10253 1/20 0.37
RIN1 Q13671 1/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL13736310 0.88 TBXA2R (0.43) OPRM1OPRD1OPRK1KDM1AACHE
SCHEMBL13736553 0.88 ADRB2 (0.52) OPRM1KDM1AACHEADRB2SLC22A1
SCHEMBL13739803 0.83 MAOB (0.39) OPRM1MAOBPARP10KDM1A
SCHEMBL13737199 0.82 SLC22A1 (0.41) MAOBKDM1AADRB2MEN1KMT2A
SCHEMBL13736434 0.81 TBXA2R (0.43) OPRM1OPRD1OPRK1KDM1AADRB2
SCHEMBL13739804 0.77 MAOB (0.39) MAOBACHEADRB2SLC22A1PRCP
SCHEMBL13737182 0.76 KDM1A (0.55) KDM1AADRB2MEN1KMT2ASLC22A1
SCHEMBL17675764 0.75 SLC6A9 (0.42) OPRM1KDM1AADRB2MEN1KMT2A
SCHEMBL13738306 0.74 SLC6A9 (0.39) OPRM1ACHEADRB2MEN1KMT2A
SCHEMBL14152142 0.73 ADRB2 (0.51) KDM1AADRB2MEN1KMT2ASLC22A1

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-9309200-B2 Benzazepine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-04-12 US disclosed
EP-2707358-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbvie Deutschland GmbH & Co. KG (DE) 2014-03-19 EP disclosed
US-20120316153-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-12-13 US disclosed
WO-2012152915-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-11-15 WO 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-20120316153-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY SLC6A11, SLC6A1, KCNB2 OPRM1 1056/4885OPRD1 427/4885OPRK1 504/4885

“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.