SCHEMBL4570096

SCHEMBL4570096

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.37
S1PR1 P21453 1/20 0.36
AGPAT2 O15120 4/20 0.34
SERPINE1 P05121 2/20 0.34
CYP2C9 P11712 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MCHR1 Q99705 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL17082129 1.00 HSD11B1 (0.37) HSD11B1S1PR1AGPAT2SERPINE1CYP2C9
SCHEMBL4570097 0.95 ALK (0.35) S1PR1AGPAT2SERPINE1CYP2C9TAAR1
SCHEMBL4570095 0.90 ALDH1A1 (0.43) HSD11B1S1PR1CYP2C9TAAR1
SCHEMBL17081995 0.90 ALDH1A1 (0.43) HSD11B1S1PR1CYP2C9TAAR1
SCHEMBL17082083 0.88 S1PR1 (0.43) HSD11B1S1PR1CYP2C9TAAR1
SCHEMBL4570094 0.88 S1PR1 (0.43) HSD11B1S1PR1CYP2C9TAAR1
SCHEMBL2700830 0.85 S1PR1 (0.39) HSD11B1S1PR1CYP2C9
SCHEMBL3701831 0.85 S1PR1 (0.39) HSD11B1S1PR1CYP2C9
SCHEMBL4570037 0.85 KMT2A (0.35) HSD11B1CYP2C9
SCHEMBL2699415 0.84 KDM4E (0.43) HSD11B1S1PR1CYP2C9

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-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US disclosed
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-05-17 US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US disclosed
US-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US disclosed
US-20090291946-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2009-11-26 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 HSD11B1 1/4885S1PR1 1221/4885AGPAT2 2348/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885S1PR1 1221/4885AGPAT2 2348/4885

“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.