SCHEMBL253259

SCHEMBL253259

CCC(C)c1cc(Br)cc(Br)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A4 P31645 2/20 0.33
KCNH2 Q12809 2/20 0.33
AR P10275 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABCB11 O95342 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
SLC6A2 P23975 1/20 0.33
PDE4A P27815 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL20180215 0.85 GABRA1 (0.45) GABRA1GABRB1TSHRGAAAR
SCHEMBL20621462 0.82 ADRB2 (0.33) GABRA1GABRB1CYP2D6SLC6A4KCNH2
SCHEMBL24227156 0.81 OPRM1 (0.34) GABRA1GABRB1CYP2D6SLC6A4KCNH2
SCHEMBL17262069 0.79 GABRA1 (0.52) GABRA1GABRB1TSHRGAACYP2D6
SCHEMBL7068142 0.77 GABRA1 (0.50) GABRA1GABRB1TSHRGAAUSP2
SCHEMBL7156139 0.77 GABRA1 (0.36) GABRA1GABRB1TSHRRORC
SCHEMBL342170 0.74 TSHR (0.38) TSHRGAAARUSP2ALDH1A1
SCHEMBL250536 0.73 TSHR (0.47) GABRA1GABRB1TSHRGAAUSP2
SCHEMBL249883 0.73 HPGD (0.41) GABRA1GABRB1TSHRGAAAR
SCHEMBL28652018 0.73 GAA (0.40) GABRA1GABRB1TSHRGAACYP2D6

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-20130217783-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-08-22 US disclosed
US-8350097-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-01-08 US disclosed
US-20120196939-A1 Therapeutic Compounds SOWOOD HEALTHCARE LLC 2012-08-02 US disclosed
US-8173849-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2012-05-08 US disclosed
EP-2152651-B1 THERAPEUTIC COMPOUNDS PHARMACOFORE INC (US) 2012-01-04 EP disclosed
EP-2392559-A1 Therapeutic compounds Pharmacofore, Inc. (US) 2011-12-07 EP disclosed
US-20100249246-A1 Therapeutic Compounds PHARMACOFORE, INC. (US) 2010-09-30 US disclosed
EP-2152651-A1 THERAPEUTIC COMPOUNDS Pharmacofore, Inc. (US) 2010-02-17 EP disclosed
WO-2008141099-A1 THERAPEUTIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-11-20 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 (3 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-20130217783-A1 Therapeutic Compounds OPRM1, OGFR, UGT1A1 GABRA1 202/4885GABRB1 189/4885TSHR 1530/4885
US-20100249246-A1 Therapeutic Compounds OPRM1, OGFR, UGT1A1 GABRA1 202/4885GABRB1 189/4885TSHR 1530/4885
US-20120196939-A1 Therapeutic Compounds OPRM1, OPRD1, SCN1B GABRA1 84/4885GABRB1 82/4885TSHR 1877/4885

“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.