SCHEMBL2815949

SCHEMBL2815949

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
KIF11 P52732 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EPHX2 P34913 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CYP19A1 P11511 1/20 0.33
SHBG P04278 1/20 0.32
ACHE P22303 1/20 0.32
ESRRG P62508 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL30338404 0.83 MAPT (0.39) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL9447336 0.81 TSHR (0.46) MAPTNPC1RAB9AALDH1A1ESR1
SCHEMBL4679692 0.79 SHBG (0.32) ESR1ESR2KIF11TAAR1SHBG
SCHEMBL3045851 0.79 CYP2A6 (0.33) ALDH1A1ESR1ESR2KIF11TAAR1
SCHEMBL4673742 0.78 TAAR1 (0.52) MAPTRAB9AALDH1A1MAPK1ESR1
SCHEMBL22165999 0.77 TSHR (0.46) ALDH1A1MAPK1KIF11TAAR1CNR1
SCHEMBL7583086 0.76 ALDH1A1 (0.43) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL24993131 0.73 ALDH1A1 (0.45) MAPTNPC1RAB9AALDH1A1HPGD
Acetonitrile SCHEMBL1027924 0.73 RAB9A (0.61) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL10574062 0.73 TAAR1 (0.62) MAPTNPC1RAB9AALDH1A1HPGD

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 MAPT 4813/4885NPC1 3400/4885RAB9A 1404/4885

“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.