SCHEMBL13705341

SCHEMBL13705341

Cc1ccc(Cl)cc1OCC[C@@H]1CN(C(=O)OCc2ccccc2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.44
BIRC2 Q13490 1/20 0.44
F10 P00742 1/20 0.41
CXCR4 P61073 1/20 0.40
MCL1 Q07820 1/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.40
TRPC3 Q13507 1/20 0.39
TRPC7 Q9HCX4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PGGT1B P53609 1/20 0.39
PDE4B Q07343 1/20 0.39
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38

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
SCHEMBL13705340 0.89 ALDH1A1 (0.43) CXCR4PTGDR2SMN1; SMN2NPC1RAB9A
SCHEMBL13705336 0.88 PTGDR2 (0.47) XIAPBIRC2CXCR4PTGDR2SMN1; SMN2
SCHEMBL4281831 0.86 RAB9A (0.40) F10PTGDR2SMN1; SMN2NPC1RAB9A
SCHEMBL4750112 0.86 RAB9A (0.40) F10PTGDR2SMN1; SMN2NPC1RAB9A
SCHEMBL8131936 0.86 MRGPRX4 (0.42) XIAPBIRC2CXCR4PTGDR2SMN1; SMN2
SCHEMBL8113714 0.85 PDE4B (0.43) CXCR4PTGDR2SMN1; SMN2NPC1RAB9A
SCHEMBL13705349 0.84 GPR183 (0.45) CXCR4PTGDR2SMN1; SMN2NPC1RAB9A
SCHEMBL8124038 0.83 XIAP (0.43) XIAPBIRC2CXCR4MCL1TRPC3
SCHEMBL8118415 0.83 SMN1; SMN2 (0.43) XIAPBIRC2CXCR4PTGDR2SMN1; SMN2
SCHEMBL13705342 0.82 ALDH1A1 (0.43) XIAPBIRC2CXCR4PTGDR2PDE4B

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 XIAP 1943/4885BIRC2 901/4885F10 3008/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT XIAP 1943/4885BIRC2 901/4885F10 3008/4885

“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.