SCHEMBL8150776

SCHEMBL8150776

O=C(c1ccc(-c2ccccc2)cc1)N1CCC(O)(c2ccc(Cl)cc2C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 6/20 0.48
MGLL Q99685 3/20 0.47
MAPK1 P28482 4/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
SLC9A1 P19634 1/20 0.44
POLB P06746 2/20 0.43
USP2 O75604 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
SLC6A7 Q99884 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL3642074 0.89 GRM5 (0.46) ALDH1A1LMNAUSP2CYP3A4CA12
SCHEMBL8164463 0.78 CA12 (0.66) FASNMGLLMAPK1HPGDALDH1A1
SCHEMBL8164562 0.76 EPHX2 (0.34)
SCHEMBL16151522 0.76 GRM5 (0.49) ALDH1A1LMNAPOLBCA12CA1
SCHEMBL8154103 0.74 CA12 (0.69) FASNMAPK1HPGDALDH1A1LMNA
SCHEMBL17390022 0.73 FASN (0.74) FASN
SCHEMBL8155110 0.71 SLC6A7 (0.62) FASNMAPK1HPGDALDH1A1LMNA
SCHEMBL21316094 0.71 FASN (0.53) FASNMGLLALDH1A1LMNASLC9A1
SCHEMBL31591117 0.71 PDK2 (0.41) POLBCYP2C19CYP2D6
SCHEMBL8155716 0.71 CYP3A4 (0.58) FASNMAPK1HPGDALDH1A1LMNA

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 FASN 2474/4885MGLL 1332/4885MAPK1 2368/4885

“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.