SCHEMBL2644179

SCHEMBL2644179

CCC(C)C(CCl)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.45
LMNA P02545 2/20 0.43
HKDC1 Q2TB90 1/20 0.43
TRPA1 O75762 3/20 0.39
AOC3 Q16853 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MIF P14174 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ADRA1A P35348 1/20 0.35

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
SCHEMBL22009966 0.85 HKDC1 (0.52) TAAR1LMNAHKDC1TRPA1AOC3
SCHEMBL3126772 0.80 TAAR1 (0.61) TAAR1LMNAHKDC1AOC3KMT2A
SCHEMBL28411588 0.79 TAAR1 (0.45) TAAR1LMNAHKDC1TRPA1AOC3
SCHEMBL13909501 0.79 TRPA1 (0.52) TAAR1LMNAHKDC1TRPA1AOC3
SCHEMBL11679334 0.79 TAAR1 (0.67) TAAR1LMNAHKDC1TRPA1AOC3
SCHEMBL12803686 0.79 TAAR1 (0.45) TAAR1LMNAHKDC1TRPA1AOC3
SCHEMBL3122344 0.79 TAAR1 (0.45) TAAR1LMNAHKDC1TRPA1AOC3
SCHEMBL3087075 0.78 TAAR1 (0.44) TAAR1LMNAHKDC1TRPA1AOC3
SCHEMBL6526877 0.78 TRPA1 (0.53) TAAR1TRPA1ADRA1A
SCHEMBL15736894 0.76 TAAR1 (0.42) TAAR1LMNAHKDC1TRPA1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620425-B1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-12-24 EP disclosed
US-7138529-B2 Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-11-21 US disclosed
EP-1620425-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-01 EP disclosed
WO-2004092156-A1 SUBSTITUTED 3-CYANOTHIOPHENE ACETAMIDES AS GLUCAGON RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-28 WO disclosed
US-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists ERICKSON SHAWN DAVID (US) 2004-10-21 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 (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-20040209943-A1 Novel substituted 3-cyanothiophene acetamides as glucagon receptor antagonists GLP1R, GCGR, GPR119 TAAR1 74/4885LMNA 4304/4885HKDC1 2443/4885

“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.