SCHEMBL13256198

SCHEMBL13256198

Cc1nccc(C(C)c2c[nH]cn2)c1CO

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 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
SCHEMBL13256931 0.86 GABRA1 (0.30) GABRA1GABRG2GABRB3
SCHEMBL3780301 0.82 CYP2A6 (0.31) —
SCHEMBL16152408 0.82 PDE3B (0.31) —
SCHEMBL17681987 0.75 GABRA1 (0.53) GABRA1GABRG2GABRB3
SCHEMBL16152400 0.75 HASPIN (0.33) —
SCHEMBL16152375 0.74 ADRA2A (0.49) —
Hydrochloric Acid SCHEMBL7640665 0.74 HRH1 (0.36) —
SCHEMBL787299 0.73 GABRA1 (0.38) GABRA1GABRG2GABRB3
SCHEMBL31019019 0.73 GABRA1 (0.38) GABRA1GABRG2GABRB3
SCHEMBL787338 0.73 GABRA1 (0.38) GABRA1GABRG2GABRB3

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
EP-2393800-B1 PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN INC (US) 2014-10-08 — — EP disclosed
US-20110306635-A1 PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND /OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN ,INC. (US) 2011-12-15 — — US disclosed
WO-2010091209-A1 PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2010-08-12 — — 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-20110306635-A1 PYRIDINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B AND /OR ALPHA 2C ADRENERGIC RECEPTORS ADRA2C, ADRB2, ADRA2B GABRA1 111/4885GABRG2 220/4885GABRB3 61/4885

“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.

Send feedback