Sugi Predict

Sugi Predict / Compounds / SCHEMBL8052945

SCHEMBL8052945

SCHEMBL8052945

Cc1cccc(C(O)c2cncn2CP)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.38
▸ ADRA2A P08913 4/20 0.37
▸ ADRA2B P18089 4/20 0.37
▸ ADRA2C P18825 4/20 0.37
▸ ADRA1A P35348 3/20 0.37
▸ ADRA1B P35368 3/20 0.37
▸ ADRA1D P25100 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ IDO1 P14902 2/20 0.33
▸ TDO2 P48775 2/20 0.33
▸ KDM4C Q9H3R0 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
SCHEMBL3143338 0.84 HSP90AA1 (0.44) GAACYP3A4CYP2D6CYP2C19IDO1
Hydrochloric Acid SCHEMBL10642099 0.83 HSP90AA1 (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL1484285 0.74 GAA (0.36) GAAADRA2AADRA2BADRA2CADRA1A
SCHEMBL10124204 0.73 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL31181857 0.73 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL31181858 0.70 CYP11B1 (0.46) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL14000466 0.70 CYP11B1 (0.46) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL18287878 0.70 TRPA1 (0.48) GAAADRA2AADRA2BADRA2CADRA1A
SCHEMBL8047324 0.68 KMT2A (0.41) GAATSHRKDM4CP2RX7KMT2A
SCHEMBL10795073 0.67 IDO1 (0.35) GAAKCNH2CYP1A2CYP3A4CYP2C9

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 4 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-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-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 GAA 3713/4885ADRA2A 8/4885ADRA2B 5/4885
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 GAA 3693/4885ADRA2A 8/4885ADRA2B 5/4885

“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.