SCHEMBL1644313

SCHEMBL1644313

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.62
TSHR P16473 3/20 0.62
NPSR1 Q6W5P4 3/20 0.62
HTT P42858 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
MAPT P10636 8/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 6/20 0.47
KDM4E B2RXH2 4/20 0.45
ATM Q13315 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP1 P29466 1/20 0.45
RAD52 P43351 1/20 0.44
ALOX15 P16050 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL1688404 0.90 HSD17B10 (0.60) HSD17B10TSHRNPSR1HTTMEN1
SCHEMBL1644300 0.83 TLR7 (0.57) MEN1KMT2AMAPT
SCHEMBL1284679 0.82 ALDH1A1 (0.53) HSD17B10TSHRNPSR1HTTL3MBTL1
SCHEMBL1644191 0.81 PIK3CA (0.50) HSD17B10TSHRNPSR1ALDH1A1ALOX15
SCHEMBL10272097 0.80 SIRT2 (0.52) HSD17B10TSHRNPSR1HTTL3MBTL1
SCHEMBL1643369 0.78 NTSR1 (0.53) L3MBTL1MAPTALDH1A1LMNACYP1A2
SCHEMBL1644115 0.78 ABCG2 (0.50) HSD17B10TSHRNPSR1HTTMEN1
SCHEMBL1644154 0.77 HDAC6 (0.46) NPSR1HTTMEN1KMT2AMAPT
SCHEMBL4301769 0.76 HSD17B10 (0.46) HSD17B10TSHRNPSR1HTTL3MBTL1
SCHEMBL1284900 0.76 HSD17B10 (0.46) HSD17B10TSHRNPSR1HTTL3MBTL1

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 HSD17B10 3107/4885TSHR 2959/4885NPSR1 532/4885

“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.