SCHEMBL13736290

SCHEMBL13736290

O=S(=O)(CC1CC1)NCc1cc2c(cc1F)CCCNC2Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
KDM1A O60341 1/20 0.42
SLC22A1 O15245 1/20 0.39
PRCP P42785 1/20 0.39
SLC6A9 P48067 6/20 0.38
KCNH2 Q12809 2/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 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
SCHEMBL13827503 0.90 ADRB2 (0.44) ADRB2KDM1ASLC22A1PRCPSLC6A9
SCHEMBL13827500 0.88 SLC6A9 (0.44) ADRB2KDM1ASLC22A1PRCPSLC6A9
SCHEMBL13738182 0.85 SLC6A9 (0.48) ADRB2KDM1ASLC22A1PRCPSLC6A9
SCHEMBL13736151 0.83 SLC6A9 (0.48) ADRB2KDM1ASLC22A1PRCPSLC6A9
SCHEMBL13738408 0.81 SLC6A9 (0.39) ADRB2KDM1ASLC22A1PRCPSLC6A9
SCHEMBL13738306 0.79 SLC6A9 (0.39) ADRB2SLC22A1PRCPSLC6A9KCNH2
SCHEMBL13827333 0.79 ADRB2 (0.38) ADRB2KDM1ASLC22A1PRCPSLC6A9
SCHEMBL13827334 0.79 SLC6A9 (0.51) SLC6A9KCNH2LMNAKMT2A
SCHEMBL13737184 0.78 ADRB2 (0.52) ADRB2KDM1ASLC22A1PRCPKMT2A
SCHEMBL13738806 0.77 SLC6A9 (0.39) ADRB2KDM1ASLC22A1PRCPSLC6A9

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 11 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
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
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
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 105/4885KDM1A 931/4885SLC22A1 611/4885

“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.