SCHEMBL13705334

SCHEMBL13705334

COc1cccc(OCC[C@@H]2CN(C(=O)OCc3ccccc3)CCN2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
CXCR4 P61073 1/20 0.41
MMP9 P14780 3/20 0.41
MMP1 P03956 2/20 0.41
MMP3 P08254 2/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.40
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
ADAM17 P78536 1/20 0.38
ADAM9 Q13443 1/20 0.38
HTR6 P50406 1/20 0.38
HTR2C P28335 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
SCHEMBL13705337 0.91 PTGDR2 (0.44) PDE4BCXCR4MMP9MMP1MMP3
SCHEMBL4292768 0.86 MEN1 (0.38) MEN1KMT2A
SCHEMBL4753485 0.86 MEN1 (0.38) MEN1KMT2A
SCHEMBL13705340 0.85 ALDH1A1 (0.43) PDE4BCXCR4MMP9MMP1MMP3
SCHEMBL8113714 0.85 PDE4B (0.43) PDE4BCXCR4MMP9MMP1MMP3
SCHEMBL8125847 0.84 PDE4B (0.49) PDE4BCXCR4MMP9MMP1MMP3
SCHEMBL8118415 0.84 SMN1; SMN2 (0.43) CXCR4SMN1; SMN2NPC1RAB9APTGDR2
SCHEMBL13340760 0.83 SMN1; SMN2 (0.47) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4860535 0.83 SMN1; SMN2 (0.47) CXCR4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4860543 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 3 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-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 PDE4B 242/4885CXCR4 3648/4885MMP9 401/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PDE4B 242/4885CXCR4 3648/4885MMP9 401/4885

“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.