SCHEMBL8164463

SCHEMBL8164463

O=C(c1ccc(-c2ccccc2)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.66
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
CA7 P43166 2/20 0.66
CA9 Q16790 2/20 0.66
CA14 Q9ULX7 2/20 0.66
KDM4E B2RXH2 1/20 0.60
MGLL Q99685 2/20 0.60
FASN P49327 3/20 0.58
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
CCR1 P32246 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
JAK1 P23458 1/20 0.53
POLB P06746 1/20 0.52
CCR3 P51677 1/20 0.52

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
SCHEMBL8154103 0.90 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL8154098 0.87 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL8155110 0.87 SLC6A7 (0.62) CA12CA1CA2CA7CA9
SCHEMBL3641801 0.86 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL8161638 0.84 USP2 (0.67) CA12CA1CA2CA7CA9
SCHEMBL1581499 0.83 MEN1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL8155716 0.79 CYP3A4 (0.58) CA12CA1CA2CA7CA9
SCHEMBL2229509 0.78 MEN1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL8150776 0.78 FASN (0.48) CA12CA1CA2CA7CA9
SCHEMBL97240 0.78 CA12 (0.67) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME DEPARTMENT OF VETERANS AFFAIRS 2009-02-12 US disclosed
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 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 (1 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-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM3 CA12 4508/4885CA1 3512/4885CA2 1406/4885

“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.