SCHEMBL10089072

SCHEMBL10089072

O=C(O)C1CN(CC2=Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3OC2)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 13/20 0.53
HTR2C P28335 1/20 0.46
MCHR1 Q99705 1/20 0.46
S1PR1 P21453 16/20 0.44
GRK5 P34947 1/20 0.43
CDK8 P49336 1/20 0.43
S1PR3 Q99500 4/20 0.43
S1PR4 O95977 5/20 0.41
PDGFRA P16234 1/20 0.40
P2RY14 Q15391 1/20 0.39

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
SCHEMBL10089029 0.91 S1PR5 (0.63) S1PR5S1PR1GRK5CDK8S1PR3
SCHEMBL10089068 0.89 S1PR5 (0.48) S1PR5HTR2CMCHR1S1PR1S1PR3
SCHEMBL10310549 0.87 S1PR1 (0.41) S1PR5HTR2CMCHR1S1PR1GRK5
SCHEMBL10089037 0.86 S1PR1 (0.56) S1PR5HTR2CMCHR1S1PR1S1PR3
SCHEMBL10088988 0.86 S1PR5 (0.44) S1PR5HTR2CMCHR1S1PR1GRK5
SCHEMBL10089024 0.85 S1PR5 (0.48) S1PR5S1PR1GRK5CDK8S1PR3
SCHEMBL10088950 0.84 S1PR5 (0.55) S1PR5S1PR1S1PR3S1PR4PDGFRA
SCHEMBL10089043 0.84 MAPK1 (0.50) S1PR5HTR2CMCHR1S1PR1
SCHEMBL10088994 0.84 S1PR1 (0.42) S1PR5HTR2CMCHR1S1PR1S1PR3
SCHEMBL10089078 0.83 S1PR1 (0.47) S1PR5HTR2CMCHR1S1PR1S1PR3

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-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 S1PR5 4/4885HTR2C 322/4885MCHR1 221/4885

“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.