SCHEMBL2669934

SCHEMBL2669934

COc1cc(F)cc(C)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.38
▸ CYP3A4 P08684 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ RAPGEF4 Q8WZA2 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TUBB1 Q9H4B7 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ GAA P10253 1/20 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
SCHEMBL1813756 0.80 SCN9A (0.38) NPC1RAB9ASMN1; SMN2TUBB1ACHE
SCHEMBL2839922 0.78 CYP3A4 (0.52) FFAR4CYP3A4CHRM1ALOX15MAOA
SCHEMBL15840334 0.77 TUBB1 (0.43) FFAR4CYP3A4RAB9AALDH1A1MAPT
SCHEMBL14500122 0.77 ACHE (0.52) FFAR4CYP3A4CHRM1ALOX15MAOA
SCHEMBL27477446 0.77 GAA (0.45) CYP3A4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1133298 0.76 ALDH1A1 (0.45) FFAR4CYP3A4SMN1; SMN2ALDH1A1MAPT
SCHEMBL16009653 0.74 ALDH1A1 (0.44) FFAR4CYP3A4SMN1; SMN2ALDH1A1MAPT
SCHEMBL21440016 0.74 MAPT (0.41) FFAR4CYP3A4NPC1ALDH1A1MAPT
SCHEMBL7289424 0.74 CYP3A4 (0.62) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL524860 0.74 NQO2 (0.44) CYP3A4CHRM1ALOX15MAOATBXA2R

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
US-8809579-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2014-08-19 — — US disclosed
US-20110312911-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. 2011-12-22 — — US disclosed
WO-2010098948-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAININ SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-09-02 — — 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-20110312911-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 FFAR4 107/4885CYP3A4 2294/4885CHRM1 1189/4885

“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.

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