SCHEMBL3597539

SCHEMBL3597539

CC(C)(C)OC(=O)NN1CCC[C@H]1C(=O)N1CC(F)(F)C[C@H]1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
CNR2 P34972 12/20 0.36
RORC P51449 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL5056535 0.84 HSD17B10 (0.41) HSD17B10NPC1
SCHEMBL3604405 0.84 HSD17B10 (0.41) HSD17B10NPC1
SCHEMBL3607611 0.83 DPP4 (0.38) HSD17B10
SCHEMBL3597534 0.83 RAB9A (0.40) OPRM1CNR2RORC
SCHEMBL25496865 0.74 HDAC8 (0.45) OPRM1CNR2HDAC8
SCHEMBL22280077 0.74 HDAC8 (0.45) OPRM1CNR2HDAC8
SCHEMBL1347670 0.74 CNR2 (0.39) CNR2HDAC8HSD17B10CNR1
SCHEMBL6468015 0.74 CNR2 (0.39) CNR2HDAC8HSD17B10CNR1
SCHEMBL15130409 0.74 CNR2 (0.39) CNR2HDAC8HSD17B10CNR1
SCHEMBL15130403 0.73 HDAC8 (0.46) CNR2HDAC8

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-8183280-B2 FAP inhibitors VANTIA LIMITED (GB) 2012-05-22 US disclosed
US-20100081701-A1 FAP inhibitors VANTIA LIMITED (GB) 2010-04-01 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-20100081701-A1 FAP inhibitors FAP, APC, SERPINB1 OPRM1 4765/4885CNR2 4825/4885RORC 2883/4885

“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.