SCHEMBL2644175

SCHEMBL2644175

CCC(C)C(C(=O)Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.52
CHRM4 P08173 2/20 0.52
CHRM1 P11229 2/20 0.52
CHRM3 P20309 2/20 0.52
CYP2D6 P10635 2/20 0.51
CHRM5 P08912 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.40
ACE P12821 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KCNQ2 O43526 1/20 0.40
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40

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
SCHEMBL499471 0.85 CYP2D6 (0.61) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL23872457 0.85 CYP2D6 (0.61) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL4921518 0.85 CYP2D6 (0.61) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL10443302 0.81 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL10981334 0.80 CYP2D6 (0.54) CYP2D6KMT2AMEN1LMNASMN1; SMN2
SCHEMBL10582145 0.80 CYP2D6 (0.54) CYP2D6KMT2AMEN1LMNASMN1; SMN2
SCHEMBL2644963 0.80 CYP2D6 (0.54) CYP2D6KMT2AMEN1LMNASMN1; SMN2
SCHEMBL7878308 0.79 CHRM2 (0.58) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL4964029 0.79 KMT2A (0.70) CHRM2CHRM4CHRM1CHRM3CYP2D6
SCHEMBL28200030 0.79 CYP2D6 (0.52) CYP2D6KMT2AMEN1LMNASMN1; SMN2

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 12 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
CN-100398533-C Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN LA ROCHE (CH) 2008-07-02 CN disclosed
US-7138529-B2 Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-11-21 US disclosed
CN-1774433-A Substituted 3-cyanothiophene acetamides as glucagon receptor antagonists HOFFMANN LA ROCHE (CH) 2006-05-17 CN 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
US-6013836-A PARTICULARLY ACTIVE AGAINST MOTHS AND BEETLES AND THEIR INSECT GROWTH REGULATING ACTIVITY WITHOUT ADVERSE IMPACT ON BENEFICIAL INSECTS; CROPS; FORESTRY ROHM AND HAAS COMPANY (US) 2000-01-11 US disclosed
US-5424333-A Anthelmintic N'-substituted-N,N'-disubstitutedhydrazines ROHM AND HAAS COMPANY (US) 1995-06-13 US disclosed
EP-0361645-B1 ORGANIC HYDRAZINE DERIVATIVES FOR PHARMACEUTICAL USE ROHM AND HAAS COMPANY (US) 1993-09-29 EP disclosed
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed
EP-0361645-A2 Organic hydrazine derivatives for pharmaceutical use ROHM AND HAAS COMPANY (US) 1990-04-04 EP 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 CHRM2 404/4885CHRM4 530/4885CHRM1 232/4885

“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.