SCHEMBL3701831

SCHEMBL3701831

O=C(O)Nc1ccc(N2CCC[C@]3(CCN(C4CCCCC4)C3=O)C2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
HSD11B1 P28845 3/20 0.38
NPY2R P49146 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL2700830 1.00 S1PR1 (0.39) S1PR1HSD11B1NPY2RCYP2C9
SCHEMBL3700541 0.94 ALK (0.39) S1PR1NPY2RCYP2C9
SCHEMBL3700537 0.94 ALK (0.39) S1PR1NPY2RCYP2C9
SCHEMBL2697960 0.94 ALK (0.39) S1PR1NPY2RCYP2C9
SCHEMBL5930343 0.94 ALK (0.39) S1PR1NPY2RCYP2C9
SCHEMBL2697962 0.94 ALK (0.39) S1PR1NPY2RCYP2C9
SCHEMBL549102 0.92 KDM4E (0.43) S1PR1HSD11B1NPY2RCYP2C9
SCHEMBL2704571 0.92 KDM4E (0.43) S1PR1HSD11B1NPY2RCYP2C9
SCHEMBL2699415 0.92 KDM4E (0.43) S1PR1HSD11B1NPY2RCYP2C9
SCHEMBL4570094 0.90 S1PR1 (0.43) S1PR1HSD11B1CYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563570-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2013-10-22 US claimed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US claimed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 US claimed
US-8563570-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 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 (2 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-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 S1PR1 1221/4885HSD11B1 1/4885NPY2R 2490/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 S1PR1 1221/4885HSD11B1 1/4885NPY2R 2490/4885

“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.