SCHEMBL4291429

SCHEMBL4291429

COC(=O)c1ccc(OC[C@@H]2CN(C(=O)O)CCN2Cc2ccccc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
ACHE P22303 3/20 0.44
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA4 P22748 4/20 0.43
CA9 Q16790 4/20 0.43
GABRA5 P31644 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GRIN2B Q13224 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 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
SCHEMBL13705088 0.89 HDAC1 (0.45) CHRNB2CHRNA7CHRNA4ACHECA1
SCHEMBL4290964 0.81 CA1 (0.44) CA1CA2CA4CA9ALDH1A1
SCHEMBL3495418 0.78 MAOB (0.48) CA1CA2CA4CA9KMT2A
SCHEMBL20305037 0.76 L3MBTL1 (0.51) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL20305034 0.76 L3MBTL1 (0.51) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL4291143 0.75 GABRA5 (0.41) CHRNB2CHRNA7CHRNA4GABRA5KMT2A
SCHEMBL4287596 0.74 CA1 (0.41) CA1CA2CA4CA9KMT2A
SCHEMBL4976543 0.74 CA1 (0.50) CA1CA2CA4CA9ALDH1A1
SCHEMBL3322121 0.72 CHRM1 (0.55) CA1CA2CA4CA9KMT2A
SCHEMBL3494616 0.72 HRH3 (0.46) CA1CA2CA4CA9

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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 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 (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 CHRNB2 4707/4885CHRNA7 4056/4885CHRNA4 4499/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CHRNB2 4707/4885CHRNA7 4056/4885CHRNA4 4499/4885

“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.