SCHEMBL17200641

SCHEMBL17200641

OC(I)(c1ccc(OCc2ccccc2)c(F)c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.44
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
MRGPRX4 Q96LA9 5/20 0.42
PTPN2 P17706 2/20 0.42
PTPN1 P18031 2/20 0.42
PTPN6 P29350 2/20 0.42
PTPRC P08575 1/20 0.42
PTPRB P23467 1/20 0.42
PTPN11 Q06124 1/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
ERN1 O75460 1/20 0.41
S1PR1 P21453 1/20 0.40
PTGER1 P34995 2/20 0.39
LRRK2 Q5S007 1/20 0.39
NPC1 O15118 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
SCHEMBL5697264 0.81 MRGPRX4 (0.46) S1PR5HTR2CSLC6A4HTR2BMRGPRX4
SCHEMBL1128800 0.75 S1PR5 (0.52) S1PR5MRGPRX4ERN1PTGER1NPC1
SCHEMBL224277 0.73 KDM1A (0.55) S1PR5SLC6A4PTGER1LRRK2
SCHEMBL30739242 0.73 KDM1A (0.55) S1PR5SLC6A4PTGER1LRRK2
SCHEMBL2478523 0.73 APP (0.49) S1PR5SLC6A4MRGPRX4ERN1NPC1
SCHEMBL412514 0.73 MRGPRX4 (0.53) S1PR5MRGPRX4PTGER1NPC1
SCHEMBL30719648 0.73 MRGPRX4 (0.53) S1PR5MRGPRX4PTGER1NPC1
SCHEMBL3980539 0.72 FFAR4 (0.52) HTR2CSLC6A4HTR2BMRGPRX4PTGER1
SCHEMBL1462187 0.72 S1PR5 (0.56) S1PR5MRGPRX4ERN1PTGER1NPC1
SCHEMBL29510827 0.72 S1PR5 (0.56) S1PR5MRGPRX4ERN1PTGER1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9732086-B2 2017-08-15 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 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-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 S1PR5 464/4885HTR2C 117/4885SLC6A4 388/4885

“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.