SCHEMBL13738596

SCHEMBL13738596

NC(=O)COc1ccc2c(c1)C(Cc1ccccc1)NCCC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
SLC22A1 O15245 1/20 0.46
PRCP P42785 1/20 0.46
KDM1A O60341 1/20 0.46
ENPP2 Q13822 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13736437 0.90 NPC1 (0.39) KDM1AENPP2ALOX15TSHRHSD17B10
SCHEMBL13738096 0.90 ENPP2 (0.42) KDM1AENPP2ALOX15TSHRHSD17B10
SCHEMBL13739803 0.89 MAOB (0.39) KDM1AENPP2
SCHEMBL13736556 0.89 HTT (0.48) ENPP2ALDH1A1
SCHEMBL13738597 0.84 SLC22A1 (0.49) ADRB2SLC22A1PRCPKDM1A
SCHEMBL13737471 0.82 KDM1A (0.48) ADRB2SLC22A1PRCPKDM1AKDM4E
SCHEMBL14152142 0.82 ADRB2 (0.51) ADRB2SLC22A1PRCPKDM1AMEN1
SCHEMBL13736553 0.81 ADRB2 (0.52) ADRB2SLC22A1PRCPKDM1A
SCHEMBL13735911 0.81 SLC22A1 (0.53) ADRB2SLC22A1PRCP
SCHEMBL13736419 0.81 ADRB2 (0.49) ADRB2SLC22A1PRCPKDM1A

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 8 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 claimed
EP-2707358-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY Abbvie Deutschland GmbH & Co. KG (DE) 2014-03-19 EP claimed
US-20120316153-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-12-13 US claimed
WO-2012152915-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT GMBH & CO. KG (DE) 2012-11-15 WO claimed
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 ADRB2 105/4885SLC22A1 611/4885PRCP 1023/4885

“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.