SCHEMBL10060849

SCHEMBL10060849

O=C(O)C1CN(Cc2ccc(C(Cc3ccc(Cl)c(Cl)c3)c3cccc(F)c3)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.58
S1PR5 Q9H228 13/20 0.58
HTR2A P28223 1/20 0.53
KCNH2 Q12809 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
GRK5 P34947 1/20 0.45
CDK8 P49336 1/20 0.45

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
SCHEMBL9110127 0.84 S1PR5 (0.51) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL10061464 0.79 S1PR5 (0.69) S1PR1S1PR5GRK5CDK8
SCHEMBL10060820 0.78 S1PR1 (0.52) S1PR1S1PR5
SCHEMBL10060821 0.76 S1PR1 (0.51) S1PR1S1PR5
SCHEMBL3042662 0.75 S1PR5 (1.00) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL10061463 0.73 S1PR1 (0.51) S1PR1S1PR5
SCHEMBL10060848 0.73 S1PR5 (0.56) S1PR1S1PR5
SCHEMBL3042238 0.73 S1PR5 (1.00) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL16722437 0.72 S1PR5 (0.54) S1PR1S1PR5
SCHEMBL3040582 0.72 S1PR5 (0.69) S1PR1S1PR5HTR2AKCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142662-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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-20120142662-A1 NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR5 3/4885HTR2A 84/4885

“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.