SCHEMBL4396166

SCHEMBL4396166

CC(C)(C)OC(=O)NC(=O)OC(C)(C)C.Cc1cccc(C2CCN(C(=O)c3cncc(N(Cc4cccc(C#N)c4)C(=O)OC(C)(C)C)c3)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FASN P49327 8/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CCR5 P51681 5/20 0.36
LMNA P02545 1/20 0.34
MCHR1 Q99705 1/20 0.34
PTGES O14684 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL4404850 0.92 LMNA (0.38) FASNCHRM2CHRM1CHRM3CCR5
SCHEMBL4412037 0.91 LMNA (0.38) LMNA
SCHEMBL4405328 0.89 TRPV6 (0.39) CCR5LMNA
SCHEMBL4396163 0.89 CHRM2 (0.39) FASNCHRM2CHRM1CHRM3CCR5
SCHEMBL6488116 0.88 NR1H4 (0.36) LMNA
SCHEMBL4405694 0.88 TP53 (0.36) CHRM2CHRM1CHRM3LMNA
SCHEMBL4398226 0.85 MAPK7 (0.39) CCR5LMNAMCHR1
SCHEMBL4403838 0.84 LMNA (0.43) LMNA
SCHEMBL7148752 0.83 CCR5 (0.36) FASNCHRM2CHRM1CHRM3CCR5
SCHEMBL4402040 0.83 LMNA (0.44) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 FASN 544/4885CHRM2 425/4885CHRM1 603/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 FASN 544/4885CHRM2 425/4885CHRM1 603/4885

“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.