SCHEMBL1645116

SCHEMBL1645116

Cc1cc(F)c([C@@H](C)NC(=O)c2ccc3nc(N4CCOCC4)ccc3c2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.44
SHMT2 P34897 3/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
HDAC3 O15379 3/20 0.42
HDAC2 Q92769 3/20 0.42
GBA1 P04062 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
MCHR1 Q99705 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 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
SCHEMBL1645086 0.92 HDAC3 (0.44) MAP3K5KCNQ3KCNQ2HDAC3HDAC2
SCHEMBL1643367 0.91 MAPT (0.45) MAP3K5KCNQ3KCNQ2HDAC3HDAC2
SCHEMBL1285100 0.89 BRAF (0.42) MAP3K5SHMT2KCNQ3KCNQ2HDAC3
SCHEMBL1285103 0.89 BRAF (0.42) MAP3K5SHMT2KCNQ3KCNQ2HDAC3
SCHEMBL1645140 0.89 PTGER4 (0.44) MAP3K5HDAC3HDAC2HRH3SMN1; SMN2
SCHEMBL1644375 0.87 HDAC3 (0.43) MAP3K5HDAC3HDAC2HRH3SMN1; SMN2
SCHEMBL1644203 0.86 HRH3 (0.42) HDAC3HDAC2MCHR1HRH3SMN1; SMN2
SCHEMBL1645194 0.81 HDAC3 (0.41) MAP3K5KCNQ3KCNQ2HDAC3HDAC2
SCHEMBL1285304 0.81 HDAC3 (0.41) MAP3K5KCNQ3KCNQ2HDAC3HDAC2
SCHEMBL1285305 0.81 HDAC3 (0.41) MAP3K5KCNQ3KCNQ2HDAC3HDAC2

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 MAP3K5 1499/4885SHMT2 2671/4885KCNQ3 59/4885

“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.