SCHEMBL1644908

SCHEMBL1644908

CCNc1cc(Cl)c([C@@H](C)N[S@+]([O-])C(C)(C)C)cc1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL1644950 0.85 CYP3A4 (0.31) CYP3A4TSHRRECQL
SCHEMBL1285918 0.80 ALDH1A1 (0.34)
SCHEMBL1285917 0.80 ALDH1A1 (0.34)
SCHEMBL2108263 0.76 LMNA (0.32)
SCHEMBL2108196 0.76 LMNA (0.32)
SCHEMBL1643122 0.76 VDR (0.35) CYP3A4TSHRRECQL
SCHEMBL2108197 0.76 LMNA (0.32)
SCHEMBL2108265 0.76 LMNA (0.32)
SCHEMBL1643877 0.73 LMNA (0.41) CYP3A4TSHRRECQL
SCHEMBL3851152 0.71 KMT2A (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 CYP3A4 2021/4885TSHR 2959/4885RECQL 3366/4885

“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.