SCHEMBL2182191

SCHEMBL2182191

Cc1cc(Br)cc(C(C)C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TACR1 P25103 1/20 0.30

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
SCHEMBL14537937 0.85 CYP11B1 (0.33) ALDH1A1
SCHEMBL28376837 0.85 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16955780 0.78 ALDH1A1 (0.30) ALDH1A1MAPK1
SCHEMBL10204235 0.76 GABRA1 (0.39) GABRA1GABRB1ALDH1A1MAPK1TACR1
SCHEMBL18599186 0.76 TACR1 (0.31) GABRA1GABRB1TACR1
SCHEMBL4175801 0.74 TACR1 (0.31) TACR1
SCHEMBL31039376 0.74 ALDH1A1 (0.36) GABRA1GABRB1ALDH1A1MAPK1TACR1
SCHEMBL17694467 0.73 DHFR (0.39) ALDH1A1TACR1
SCHEMBL21974574 0.73 TACR1 (0.30) TACR1
SCHEMBL19707538 0.72 GABRA1 (0.37) GABRA1GABRB1ALDH1A1MAPK1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 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-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 GABRA1 948/4885GABRB1 425/4885ALDH1A1 3262/4885

“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.