SCHEMBL1482471

SCHEMBL1482471

Cc1cccc(C(O)(Cc2ccccc2)c2cncn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
RORC P51449 2/20 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
SCHEMBL2205776 0.82 CYP19A1 (0.32) CYP1A2CYP2C9CYP2C19CYP3A4HIF1A
SCHEMBL1638486 0.82 CYP19A1 (0.37) CYP1A2CYP2C9CYP2C19CYP3A4HIF1A
SCHEMBL1481869 0.79 CYP2C9 (0.49) KCNA5CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3072544 0.78 RORC (0.39) KCNA5CYP3A4RORC
SCHEMBL1637070 0.76 CYP19A1 (0.40) KCNA5CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL11891099 0.74 KIF11 (0.38) CYP1A2CYP2C9CYP2C19CYP3A4HIF1A
SCHEMBL21311710 0.70 CYP11B1 (0.42) RORC
SCHEMBL11891093 0.70 CYP11B1 (0.38) KCNA5CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL11891095 0.69 CYP11B1 (0.40) KCNA5FNTAFNTBPGGT1BKMT2A
SCHEMBL28459503 0.68 NUDT1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735438-B2 Substituted-aryl-2-phenylethyl-1H-imidazole compounds as subtype selective modulators of alpha 2B and/or alpha 2C adrenergic receptors ALLERGAN, INC. (US) 2014-05-27 US disclosed
US-8735438-B2 Substituted-aryl-2-phenylethyl-1H-imidazole compounds as subtype selective modulators of alpha 2B and/or alpha 2C adrenergic receptors ALLERGAN, INC. (US) 2014-05-27 US disclosed
US-8735438-B2 Substituted-aryl-2-phenylethyl-1H-imidazole compounds as subtype selective modulators of alpha 2B and/or alpha 2C adrenergic receptors ALLERGAN, INC. (US) 2014-05-27 US disclosed
US-20110077274-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2011-03-31 US disclosed
US-20110077274-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2011-03-31 US disclosed
US-20110077274-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2011-03-31 US disclosed
US-7902247-B2 Substituted-aryl-2-phenylethyl-1H-imidazole compounds as subtype selective modulators of alpha 2B and/or alpha 2C adrenergic receptors ALLERGAN, INC. (US) 2011-03-08 US disclosed
US-7902247-B2 Substituted-aryl-2-phenylethyl-1H-imidazole compounds as subtype selective modulators of alpha 2B and/or alpha 2C adrenergic receptors ALLERGAN, INC. (US) 2011-03-08 US disclosed
US-7902247-B2 Substituted-aryl-2-phenylethyl-1H-imidazole compounds as subtype selective modulators of alpha 2B and/or alpha 2C adrenergic receptors ALLERGAN, INC. (US) 2011-03-08 US disclosed
EP-2240453-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2010-10-20 EP disclosed
WO-2009089132-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2009-07-16 WO disclosed
WO-2009089132-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2009-07-16 WO disclosed
US-20090176843-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. 2009-07-09 US disclosed
US-20090176843-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. 2009-07-09 US disclosed
US-20090176843-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. 2009-07-09 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 (2 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-20110077274-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ADRA2C, ADRB3, ADRB2 KCNA5 656/4885CYP1A2 205/4885CYP2C9 460/4885
US-20090176843-A1 SUBSTITUTED-ARYL-2-PHENYLETHYL-1H-IMIDAZOLE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ADRA2C, ADRB3, ADRB2 KCNA5 657/4885CYP1A2 195/4885CYP2C9 455/4885

“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.