SCHEMBL1644966

SCHEMBL1644966

Cc1ccc([C@@H](C)NC(=O)c2ccc3cc(F)ccc3c2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PPARG P37231 3/20 0.48
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44

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
SCHEMBL1643774 0.87 TP53 (0.55) KMT2AMEN1TP53NPC1ROCK2
SCHEMBL1644476 0.85 HPGD (0.52) KMT2AMEN1TP53LMNAALDH1A1
SCHEMBL1285010 0.84 KMT2A (0.44) KMT2AMEN1HTTNPC1LMNA
SCHEMBL1644493 0.84 ALOX5 (0.57) KMT2AMEN1TP53NPC1ROCK2
SCHEMBL1643007 0.81 PDE2A (0.47) TP53PPARG
SCHEMBL3037590 0.80 NPC1 (0.61) KMT2AMEN1HTTNPC1LMNA
SCHEMBL23169597 0.79 MLYCD (0.50) KMT2AMEN1HTTNPC1LMNA
SCHEMBL1643824 0.79 ACACB (0.47) KMT2AMEN1HTTTP53NPC1
SCHEMBL1644482 0.79 ACACB (0.47) KMT2AMEN1HTTTP53NPC1
SCHEMBL1643038 0.78 ACACB (0.46) KMT2AMEN1TP53NPC1ALDH1A1

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 KMT2A 4280/4885MEN1 4500/4885HTT 3273/4885

“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.