SCHEMBL2406534

SCHEMBL2406534

N#Cc1ccc(-c2ccc(N3CCC(CCN(Cc4nccs4)C(=O)O)CC3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.42
KCNH2 Q12809 1/20 0.42
CHRM4 P08173 6/20 0.41
CETP P11597 2/20 0.38
CHRM2 P08172 2/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
DPP4 P27487 1/20 0.37
RET P07949 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PANK3 Q9H999 1/20 0.35
USP30 Q70CQ3 1/20 0.35
KDM1A O60341 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
SCHEMBL2407424 0.91 MCHR1 (0.43) DGAT1KCNH2CHRM4CETPHRH3
SCHEMBL2404039 0.89 DGAT1 (0.41) DGAT1KCNH2CHRM4HRH3
SCHEMBL2411687 0.89 DGAT1 (0.41) DGAT1KCNH2EGLN1HRH3
SCHEMBL2408002 0.88 TRPM8 (0.41) DGAT1CHRM4RETHRH3
SCHEMBL2411396 0.85 CHRM4 (0.41) DGAT1KCNH2CHRM4CETPCHRM2
SCHEMBL2406228 0.84 AOC3 (0.41) DGAT1KCNH2CHRM4
SCHEMBL2407642 0.84 CNR2 (0.44) DGAT1KCNH2EGLN1
SCHEMBL2431551 0.77 MCHR1 (0.39) DGAT1KCNH2CHRM4HRH3
SCHEMBL2406077 0.75 PDE10A (0.45) DGAT1KCNH2HRH3
SCHEMBL1711102 0.74 CHRM4 (0.59) DGAT1KCNH2CHRM4CETPCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912218-B2 Alkylthiazol carbamate derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-12-16 US disclosed
US-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-09-01 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-20110212963-A1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MET, ALK, REL DGAT1 4017/4885KCNH2 1681/4885CHRM4 1891/4885

“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.