SCHEMBL1688404

SCHEMBL1688404

CCOC(=O)N1CCN(c2nc(C(F)(F)F)nc3ccc(C(=O)OC)cc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 4/20 0.45
ATM Q13315 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CASP1 P29466 1/20 0.44
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
RAD52 P43351 1/20 0.43
PDGFRB P09619 1/20 0.43
P2RY12 Q9H244 1/20 0.42

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
SCHEMBL1644313 0.90 HSD17B10 (0.62) HSD17B10TSHRHTTNPSR1MEN1
SCHEMBL1688393 0.85 TLR7 (0.54) HTTNPSR1MEN1KMT2AHPGD
SCHEMBL1284679 0.84 ALDH1A1 (0.53) HSD17B10TSHRHTTNPSR1HPGD
SCHEMBL10272097 0.82 SIRT2 (0.52) HSD17B10TSHRHTTNPSR1MEN1
SCHEMBL1688381 0.80 KDM4E (0.52) TSHRHTTNPSR1MEN1KMT2A
SCHEMBL1688399 0.80 NTSR1 (0.52) TSHRALDH1A1MAPT
SCHEMBL1688378 0.79 HDAC6 (0.47) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL1688375 0.77 KDM4E (0.50) HSD17B10TSHRHTTNPSR1MEN1
SCHEMBL1285490 0.77 ALDH1A1 (0.50) HSD17B10TSHRHTTNPSR1MEN1
SCHEMBL4301769 0.76 HSD17B10 (0.46) HSD17B10TSHRHTTNPSR1MEN1

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-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
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO 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 HSD17B10 3107/4885TSHR 2959/4885HTT 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.