SCHEMBL13736554

SCHEMBL13736554

NCc1ccc2c(c1)C(Cc1ccccc1)NCCC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.56
PRCP P42785 1/20 0.56
ADRB2 P07550 1/20 0.53
KDM1A O60341 2/20 0.46
TBXA2R P21731 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
MEN1 O00255 1/20 0.41
ABL1 P00519 1/20 0.41
ALPL P05186 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
RIN1 Q13671 1/20 0.41

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
SCHEMBL13736311 0.88 TBXA2R (0.44) SLC22A1PRCPADRB2KDM1ATBXA2R
SCHEMBL13736435 0.88 TBXA2R (0.44) SLC22A1PRCPADRB2KDM1ATBXA2R
SCHEMBL13737199 0.87 SLC22A1 (0.41) SLC22A1PRCPADRB2KDM1ATBXA2R
SCHEMBL14152142 0.84 ADRB2 (0.51) SLC22A1PRCPADRB2KDM1ATBXA2R
SCHEMBL14152143 0.84 SLC22A1 (0.52) SLC22A1PRCPADRB2KDM1ATBXA2R
SCHEMBL15169927 0.83 ADRB2 (0.48) SLC22A1PRCPADRB2KDM1ATBXA2R
SCHEMBL13736419 0.82 ADRB2 (0.49) SLC22A1PRCPADRB2KDM1ATBXA2R
SCHEMBL13736420 0.82 SLC22A1 (0.50) SLC22A1PRCPADRB2KDM1ADRD2
SCHEMBL13738597 0.81 SLC22A1 (0.49) SLC22A1PRCPADRB2KDM1A
SCHEMBL13737898 0.81 SLC22A1 (0.55) SLC22A1PRCPADRB2KDM1ADRD2

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 SLC22A1 611/4885PRCP 1023/4885ADRB2 105/4885

“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.