SCHEMBL2817460

SCHEMBL2817460

CC(C#N)(c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.46
MAPT P10636 4/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 4/20 0.38
TAAR1 Q96RJ0 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.38
CYP2D6 P10635 3/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
KIF11 P52732 1/20 0.37
ESR1 P03372 2/20 0.36

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
SCHEMBL1021158 0.87 GRM1 (0.49) GRM1MAPTTSHRALDH1A1MAPK1
SCHEMBL17817924 0.81 TSHR (0.43) MAPTTSHRALDH1A1NPC1RAB9A
SCHEMBL11444405 0.77 SLC2A1 (0.44) GRM1MAPTTSHRALDH1A1MAPK1
SCHEMBL30616105 0.77 CA4 (0.46) GRM1MAPTALDH1A1NPC1RAB9A
SCHEMBL4580674 0.76 ESR1 (0.60) MAPTTSHRALDH1A1MAPK1NPC1
SCHEMBL204220 0.76 ESR1 (0.60) MAPTTSHRALDH1A1MAPK1NPC1
SCHEMBL24993131 0.76 ALDH1A1 (0.45) MAPTALDH1A1MAPK1NPC1HPGD
SCHEMBL1019599 0.76 KIF11 (0.40) MAPTTSHRALDH1A1NPC1RAB9A
SCHEMBL13196552 0.76 GRM1 (0.43) GRM1ALDH1A1MAPK1CYP3A4TAAR1
SCHEMBL358617 0.74 MAPT (0.43) MAPTALDH1A1MAPK1NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG GRM1 809/4885MAPT 4813/4885TSHR 19/4885

“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.