SCHEMBL13705337

SCHEMBL13705337

COc1cccc(OCC[C@@H]2CN(C(=O)OCc3ccccc3)CCN2)c1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.44
PDE4B Q07343 1/20 0.43
CXCR4 P61073 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP2C19 P33261 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 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
SCHEMBL13705334 0.91 PDE4B (0.43) PTGDR2PDE4BCXCR4SMN1; SMN2NPC1
SCHEMBL4290277 0.86 CCR3 (0.39)
SCHEMBL4752929 0.86 CCR3 (0.39)
SCHEMBL13705351 0.86 PDE4B (0.41) PTGDR2PDE4BCXCR4SMN1; SMN2NPC1
SCHEMBL8126494 0.85 CXCR4 (0.45) PTGDR2CXCR4SMN1; SMN2NPC1RAB9A
SCHEMBL8125847 0.84 PDE4B (0.49) PTGDR2PDE4BCXCR4SMN1; SMN2NPC1
SCHEMBL8118415 0.84 SMN1; SMN2 (0.43) PTGDR2CXCR4SMN1; SMN2NPC1RAB9A
SCHEMBL13705335 0.84 MRGPRX4 (0.42) PTGDR2PDE4BCXCR4SMN1; SMN2NPC1
SCHEMBL4860535 0.83 SMN1; SMN2 (0.47) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL13340760 0.83 SMN1; SMN2 (0.47) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19

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 1872/4885PDE4B 242/4885CXCR4 3648/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PTGDR2 1872/4885PDE4B 242/4885CXCR4 3648/4885

“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.