SCHEMBL1638482

SCHEMBL1638482

Fc1cccc(C(c2ccccc2)c2cnc[nH]2)c1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.46
ADRA2A P08913 10/20 0.43
ADRA2B P18089 10/20 0.43
ADRA2C P18825 10/20 0.43
ADRA1A P35348 7/20 0.43
ADRA1B P35368 6/20 0.43
ADRA1D P25100 5/20 0.43
KCNH2 Q12809 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A2 P23975 1/20 0.40
HTR7 P34969 1/20 0.40
CPA1 P15085 1/20 0.37

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
SCHEMBL3062666 0.90 ADRA2A (0.40) CYP19A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL3063952 0.88 HRH3 (0.41) CYP19A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL1639685 0.86 ADRA2A (0.42) CYP19A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL1639638 0.84 IDO1 (0.47) CYP19A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL3061803 0.82 HRH3 (0.43) CYP19A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL3055369 0.81 CYP19A1 (0.44) CYP19A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL1639415 0.79 CYP19A1 (0.55) CYP19A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL28775062 0.79 ADRA2A (0.45) CYP19A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL3060612 0.79 SLC6A2 (0.46) CYP19A1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL10316482 0.78 CYP19A1 (0.38) CYP19A1ADRA2AADRA2BADRA2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250153-B1 SUBSTITUTED-ARYL-(IMIDAZOLE)-METHYL)-PHENYL COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN INC (US) 2013-06-19 EP disclosed
US-20120202865-A1 SUBSTITUTED-ARYL-(IMIDAZOLE)-METHYL)-PHENYL COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS SINHA SANTOSH C (US) 2012-08-09 US disclosed
US-8227499-B2 Substituted-aryl-(imidazole)-methyl)-phenyl compounds as subtype selective modulators of alpha 2B and/or alpha 2C adrenergic receptors ALLERGAN, INC. (US) 2012-07-24 US disclosed
US-20110098330-A1 SUBSTITUTED-ARYL-(IMIDAZOLE)-METHYL)-PHENYL COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. 2011-04-28 US disclosed
EP-2250153-A1 SUBSTITUED-ARYL-(IMIDAZOLE)-METHYL)-PHENYL COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2010-11-17 EP disclosed
WO-2009091735-A1 SUBSTITUED-ARYL-(IMIDAZOLE)-METHYL)-PHENYL COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ALLERGAN.INC (US) 2009-07-23 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 (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-20110098330-A1 SUBSTITUTED-ARYL-(IMIDAZOLE)-METHYL)-PHENYL COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ADRA2C, ADRB2, ADRB3 CYP19A1 1548/4885ADRA2A 7/4885ADRA2B 5/4885
US-20120202865-A1 SUBSTITUTED-ARYL-(IMIDAZOLE)-METHYL)-PHENYL COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA 2B AND/OR ALPHA 2C ADRENERGIC RECEPTORS ADRA2C, ADRB2, ADRB3 CYP19A1 1515/4885ADRA2A 7/4885ADRA2B 4/4885

“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.