SCHEMBL14964440

SCHEMBL14964440

CC(C)(C)OC(=O)NC1CCc2ccc(CNS(=O)(=O)CC3CC3)cc2C1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.58
KCNH2 Q12809 2/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NPY5R Q15761 9/20 0.43
TRPV1 Q8NER1 2/20 0.38

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
SCHEMBL14964436 0.93 SLC6A9 (0.62) SLC6A9KCNH2CA12CA1CA7
SCHEMBL14964132 0.91 SLC6A9 (0.72) SLC6A9KCNH2CA12CA1CA7
SCHEMBL7888223 0.89 SLC6A9 (0.60) SLC6A9KCNH2CA12CA1CA7
SCHEMBL14957764 0.88 SLC6A9 (0.64) SLC6A9KCNH2NPY5RTRPV1
SCHEMBL14957857 0.87 SLC6A9 (0.53) SLC6A9KCNH2CA12CA1CA7
SCHEMBL7898347 0.84 SLC6A9 (0.46) SLC6A9NPY5RTRPV1
SCHEMBL14957424 0.83 SLC6A9 (0.69) SLC6A9KCNH2NPY5RTRPV1
SCHEMBL14962077 0.82 TRPV1 (0.49) SLC6A9NPY5RTRPV1
SCHEMBL7896310 0.81 NPY5R (0.47) SLC6A9CA12CA1CA7CA14
SCHEMBL3089837 0.81 SLC6A9 (0.81) SLC6A9KCNH2NPY5RTRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846741-B2 N-substituted aminobenzocycloheptene, aminotetraline, aminoindane and phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2014-09-30 US disclosed
US-20130131132-A1 N-SUBSTITUTED AMINOBENZOCYCLOHEPTENE, AMINOTETRALINE, AMINOINDANE AND PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE INC. (US) 2013-05-23 US 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-20130131132-A1 N-SUBSTITUTED AMINOBENZOCYCLOHEPTENE, AMINOTETRALINE, AMINOINDANE AND PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY AADAT, BCAT1, NMT1 SLC6A9 90/4885KCNH2 711/4885CA12 4298/4885

“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.