SCHEMBL5795243

SCHEMBL5795243

C[C@@H]1C[C@H](C)CN(c2ccccc2C#N)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TSHR P16473 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM2 Q14416 1/20 0.42
MAPK1 P28482 2/20 0.40
HTR7 P34969 2/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
TMEM97 Q5BJF2 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
SCHEMBL19665127 1.00 GRM1 (0.47) GRM1L3MBTL1LMNATDP1GRM5
SCHEMBL3610929 0.82 AR (0.60)
SCHEMBL20157461 0.81 GHSR (0.44) GRM1GRM5ALDH1A1TSHRKDM4E
SCHEMBL13176022 0.79 MEN1 (0.59) GRM1L3MBTL1LMNAGRM5ALDH1A1
SCHEMBL20140205 0.79 GRM1 (0.47) GRM1GRM5KDM4EGRM2HTR7
SCHEMBL20129652 0.78 GRM1 (0.46) GRM1GRM5ALDH1A1TSHRKDM4E
SCHEMBL30619380 0.78 GRM1 (0.49) GRM1GRM5ALDH1A1KDM4EGRM2
SCHEMBL27488325 0.78 GRM1 (0.49) GRM1GRM5ALDH1A1KDM4EGRM2
SCHEMBL5927308 0.77 ALDH1A1 (0.43) L3MBTL1LMNATDP1ALDH1A1TSHR
SCHEMBL19815819 0.76 ALDH1A1 (0.42) L3MBTL1LMNATDP1ALDH1A1TSHR

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-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses GENFIT (FR) 2006-04-13 US disclosed
WO-2006035157-A2 SUBSTITUTED N-(BENZYL)PHENYLACETAMIDE DERIVATIVE COMPOUNDS, PREPARATION METHOD THEREOF AND USES OF SAME AS PPAR LIGANDS IN THE TREATMENT OF LIPID AND/OR GLUCIDIC DISORDERS GENFIT (FR) 2006-04-06 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-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses AADAC, NAT1, PARN GRM1 4804/4885L3MBTL1 2320/4885LMNA 1111/4885

“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.