SCHEMBL12356972

SCHEMBL12356972

CC(C)c1cc2cc(C#N)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.49
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
NPC1 O15118 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
PTPN1 P18031 1/20 0.44
ACHE P22303 1/20 0.44
RAB9A P51151 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
HRH3 Q9Y5N1 6/20 0.41
PGR P06401 2/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL20559738 0.86 CYP2A6 (0.46) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL8895911 0.86 CYP2A6 (0.46) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL28321258 0.86 CYP2A6 (0.46) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL177345 0.78 CYP2A6 (0.52) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL6014124 0.76 CYP2A6 (0.60) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL20558969 0.75 CHRM2 (0.36) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL20558966 0.75 CHRM2 (0.36) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL20558970 0.75 CHRM2 (0.36) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL18936170 0.74 CYP2A6 (0.52) CYP2A6CHRM2CHRM4CHRM5CHRM1
SCHEMBL14677379 0.74 CYP2A6 (0.52) CYP2A6CHRM2CHRM4CHRM5CHRM1

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
WO-2023239892-A1 COMPOUNDS FOR MODULATION OF CD68 AND USES THEREOF ARKUDA THERAPEUTICS (US) 2023-12-14 WO disclosed
EP-3724188-B1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2023-06-07 EP disclosed
US-20210163471-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS 2021-06-03 US disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 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-20210163471-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME GRN, PRNP, PSEN1 CYP2A6 4880/4885CHRM2 4042/4885CHRM4 3701/4885
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 CYP2A6 1336/4885CHRM2 435/4885CHRM4 565/4885

“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.