SCHEMBL13705336

SCHEMBL13705336

O=C(OCc1ccccc1)N1CCN[C@H](CCOc2ccc(Cl)cc2F)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.47
MRGPRX4 Q96LA9 1/20 0.42
XIAP P98170 1/20 0.42
BIRC2 Q13490 1/20 0.42
CXCR4 P61073 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
S1PR5 Q9H228 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 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
SCHEMBL13705335 0.89 MRGPRX4 (0.42) PTGDR2MRGPRX4CXCR4SMN1; SMN2S1PR5
SCHEMBL13705341 0.88 XIAP (0.44) PTGDR2XIAPBIRC2CXCR4SMN1; SMN2
SCHEMBL4752310 0.86 PTGDR2 (0.39) PTGDR2MRGPRX4SMN1; SMN2NPC1RAB9A
SCHEMBL4286365 0.86 PTGDR2 (0.39) PTGDR2MRGPRX4SMN1; SMN2NPC1RAB9A
SCHEMBL8131936 0.84 MRGPRX4 (0.42) PTGDR2MRGPRX4XIAPBIRC2CXCR4
SCHEMBL8126494 0.83 CXCR4 (0.45) PTGDR2CXCR4SMN1; SMN2CYP2C19NPC1
SCHEMBL8118415 0.83 SMN1; SMN2 (0.43) PTGDR2MRGPRX4XIAPBIRC2CXCR4
SCHEMBL8117540 0.82 MRGPRX4 (0.44) PTGDR2MRGPRX4XIAPBIRC2CXCR4
SCHEMBL8118778 0.82 CXCR4 (0.43) PTGDR2CXCR4SMN1; SMN2CYP2C19NPC1
SCHEMBL13705337 0.82 PTGDR2 (0.44) PTGDR2CXCR4SMN1; SMN2CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PTGDR2 1872/4885MRGPRX4 474/4885XIAP 1943/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PTGDR2 1872/4885MRGPRX4 474/4885XIAP 1943/4885

“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.