SCHEMBL1481869

SCHEMBL1481869

OC(Cc1ccccc1)(c1ccncc1)c1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 1/20 0.49
HIF1A Q16665 1/20 0.49
KCNA5 P22460 1/20 0.49
HSP90AA1 P07900 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
MAPT P10636 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2D6 P10635 1/20 0.32
RORC P51449 2/20 0.32
KIF11 P52732 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31

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
SCHEMBL1482471 0.79 KCNA5 (0.40) CYP2C9CYP2C19CYP1A2CYP3A4HIF1A
SCHEMBL11891095 0.74 CYP11B1 (0.40) KCNA5HSP90AA1KMT2ACYP11B1CYP11B2
SCHEMBL10896574 0.74 CYP2C9 (0.66) CYP2C9CYP2C19CYP1A2CYP3A4HIF1A
SCHEMBL11891093 0.72 CYP11B1 (0.38) CYP2C9CYP2C19CYP1A2CYP3A4HIF1A
SCHEMBL13770254 0.71 KCNA5 (0.33) CYP2C9CYP2C19CYP1A2CYP3A4HIF1A
SCHEMBL13089077 0.71 CYP19A1 (0.39) CYP2C9CYP2C19CYP1A2CYP3A4HIF1A
SCHEMBL912792 0.68 CYP2C9 (0.67) CYP2C9CYP2C19CYP1A2CYP3A4HIF1A
SCHEMBL27988784 0.67 CYP1A2 (0.73) CYP2C9CYP2C19CYP1A2CYP3A4HIF1A
SCHEMBL28067941 0.67 CYP11B1 (0.42) CYP2C9CYP2C19CYP1A2CYP3A4HIF1A
SCHEMBL25367746 0.67 TAAR1 (0.49) CYP2C9CYP2C19CYP1A2CYP3A4HIF1A

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 14 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
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 CYP2C9 460/4885CYP2C19 491/4885CYP1A2 205/4885
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 CYP2C9 455/4885CYP2C19 481/4885CYP1A2 195/4885

“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.