SCHEMBL8163271

SCHEMBL8163271

CC1(O)CN(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.60
HPGD P15428 1/20 0.60
POLB P06746 2/20 0.59
FASN P49327 5/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SLC6A7 Q99884 2/20 0.54
TSHR P16473 4/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
GHSR Q92847 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL15617689 0.90 HPGD (0.53) MAPK1HPGDSMN1; SMN2ALDH1A1USP2
SCHEMBL8150817 0.84 FASN (0.67) MAPK1HPGDPOLBFASNMEN1
SCHEMBL3640039 0.83 GRM5 (0.62) MAPK1POLBMEN1KMT2ALMNA
SCHEMBL15473394 0.81 MEN1 (0.59) HPGDMEN1KMT2ALMNAALDH1A1
SCHEMBL4813560 0.81 MAPK1 (0.61) MAPK1HPGDPOLBFASNMEN1
SCHEMBL8164455 0.80 TSHR (0.53) MAPK1HPGDPOLBFASNMEN1
SCHEMBL24691857 0.79 HPGD (0.58) HPGDPOLBKMT2ALMNA
SCHEMBL13724596 0.79 CA12 (0.49) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL28244003 0.79 ALDH1A1 (0.46) HPGDPOLBMEN1KMT2ATSHR
SCHEMBL10721898 0.78 MAPK1 (0.85) MAPK1HPGDPOLBFASNMEN1

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 MAPK1 2368/4885HPGD 3544/4885POLB 4308/4885

“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.