SCHEMBL3597534

SCHEMBL3597534

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
CNR2 P34972 13/20 0.38
OPRM1 P35372 1/20 0.37
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
RORC P51449 1/20 0.34
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL3607610 0.84 DPP4 (0.41) RAB9AHTTTSHR
SCHEMBL3597539 0.83 OPRM1 (0.36) CNR2OPRM1RORC
SCHEMBL3597275 0.74 DPP4 (0.47) RAB9A
SCHEMBL3601919 0.73 CNR2 (0.39) CNR2OPRM1
SCHEMBL3607611 0.67 DPP4 (0.38)
SCHEMBL3604405 0.66 HSD17B10 (0.41)
SCHEMBL5056535 0.66 HSD17B10 (0.41)
SCHEMBL29162891 0.65 CNR2 (0.37) CNR2OPRM1RORC
SCHEMBL25494519 0.64 OPRM1 (0.42) CNR2OPRM1
SCHEMBL15129890 0.62 CNR2 (0.41) CNR2OPRM1

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 RAB9A 1548/4885CNR2 4825/4885OPRM1 4765/4885

“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.