SCHEMBL15729686

SCHEMBL15729686

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.52
PTGER1 P34995 2/20 0.46
TBXA2R P21731 1/20 0.46
S1PR5 Q9H228 1/20 0.44
ERN1 O75460 1/20 0.41
CTSA P10619 1/20 0.41
NPC1 O15118 1/20 0.40
FFAR1 O14842 1/20 0.40
KDM1A O60341 2/20 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
SCHEMBL4455681 0.85 NPC1 (0.50) MRGPRX4PTGER1TBXA2RNPC1
SCHEMBL15729642 0.83 MRGPRX4 (0.49) MRGPRX4PTGER1TBXA2RS1PR5ERN1
SCHEMBL15537320 0.83 TBXA2R (0.44) MRGPRX4PTGER1TBXA2R
SCHEMBL4659219 0.81 MRGPRX4 (0.52) MRGPRX4S1PR5ERN1CTSAKDM1A
SCHEMBL4165459 0.81 MRGPRX4 (0.52) MRGPRX4S1PR5ERN1CTSAKDM1A
SCHEMBL10148264 0.80 MRGPRX4 (0.56) MRGPRX4S1PR5ERN1CTSAFFAR1
SCHEMBL7764410 0.78 LMNA (0.56)
SCHEMBL20032400 0.77 MRGPRX4 (0.51) MRGPRX4S1PR5ERN1CTSANPC1
SCHEMBL26933122 0.77 KMT2A (0.56)
SCHEMBL29890396 0.77 KMT2A (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
EP-2921480-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-10-11 EP disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
US-9777005-B2 Bicyclic heterocyclic compound containing a substituted pyrrole ring TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
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-9732086-B2 2017-08-15 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
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
US-20150307497-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
EP-2921480-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-09-23 EP disclosed
WO-2014077401-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2014-05-22 WO 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 MRGPRX4 298/4885PTGER1 743/4885TBXA2R 612/4885

“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.