SCHEMBL13736151

SCHEMBL13736151

O=S(=O)(CC1CC1)NCCOc1cc2c(cc1F)CCCNC2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.48
KCNH2 Q12809 1/20 0.48
KDM1A O60341 1/20 0.41
ADRB2 P07550 1/20 0.39
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
SLC22A1 O15245 1/20 0.36
PRCP P42785 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL13827488 0.91 KDM1A (0.42) SLC6A9KCNH2KDM1AADRB2BCHE
SCHEMBL15169460 0.89 SLC6A9 (0.49) SLC6A9KCNH2KDM1AADRB2
SCHEMBL13827487 0.89 SLC6A9 (0.41) SLC6A9KCNH2KDM1AADRB2BCHE
SCHEMBL13736036 0.85 SLC6A9 (0.66) SLC6A9KCNH2ADRB2SLC22A1PRCP
SCHEMBL13736290 0.83 ADRB2 (0.43) SLC6A9KCNH2KDM1AADRB2SLC22A1
SCHEMBL13737473 0.81 ADRB2 (0.48) KDM1AADRB2BCHEACHESLC22A1
SCHEMBL17675759 0.81 SLC6A9 (0.53) SLC6A9KCNH2BCHEACHEGAA
SCHEMBL15169480 0.81 SLC6A9 (0.46) SLC6A9KCNH2
SCHEMBL15187753 0.80 SLC6A9 (0.40) SLC6A9KCNH2KDM1AADRB2BCHE
SCHEMBL13738129 0.80 SLC6A9 (0.55) SLC6A9KCNH2

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 9 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
US-20120316153-A1 BENZAZEPINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBOTT LABORATORIES (US) 2012-12-13 US 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 SLC6A9 298/4885KCNH2 26/4885KDM1A 931/4885

“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.