SCHEMBL4570137

SCHEMBL4570137

COC(=O)Nc1ccc(N2CCC[C@]3(CCN([C@H]4CC[C@H](O)CC4)C3=O)C2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALK Q9UM73 2/20 0.37
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
EML4 Q9HC35 1/20 0.35

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
SCHEMBL17081999 1.00 S1PR1 (0.41) S1PR1MAPTTP53THRBSMN1; SMN2
SCHEMBL17082083 0.94 S1PR1 (0.43) S1PR1MAPTTP53THRBSMN1; SMN2
SCHEMBL4570094 0.94 S1PR1 (0.43) S1PR1MAPTTP53THRBSMN1; SMN2
SCHEMBL17082166 0.92 TAAR1 (0.39) S1PR1MAPTTP53THRBSMN1; SMN2
SCHEMBL17082103 0.92 TAAR1 (0.37) S1PR1MAPTTP53THRBSMN1; SMN2
SCHEMBL4570140 0.92 TAAR1 (0.37) S1PR1MAPTTP53THRBSMN1; SMN2
SCHEMBL4570136 0.92 TAAR1 (0.39) S1PR1MAPTTP53THRBSMN1; SMN2
SCHEMBL551111 0.91 MAPT (0.40) S1PR1MAPTALKCYP2C9EML4
SCHEMBL2699038 0.91 MAPT (0.40) S1PR1MAPTALKCYP2C9EML4
SCHEMBL551112 0.91 MAPT (0.40) S1PR1MAPTALKCYP2C9EML4

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 S1PR1 1221/4885MAPT 3735/4885TP53 4797/4885
US-20120122858-A1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS HSD11B1, HSD11B2, HSD17B1 S1PR1 1221/4885MAPT 3735/4885TP53 4797/4885

“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.