SCHEMBL2817408

SCHEMBL2817408

CC(=O)NCCC(C)(C)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.46
EPHX2 P34913 2/20 0.44
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACHE P22303 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACACB O00763 2/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KDM4E B2RXH2 2/20 0.38
DHFR P00374 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL14347853 0.85 RAB9A (0.45) MAPTNPC1RAB9ALMNATSHR
SCHEMBL20588960 0.80 ESRRG (0.40) ESRRGEPHX2MAPTLMNATSHR
SCHEMBL2816709 0.78 ALDH1A1 (0.56) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL2815482 0.76 PTPN1 (0.34) ESRRGEPHX2MAPTLMNAALDH1A1
SCHEMBL27890220 0.74 KDM4E (0.44) MAPTLMNATSHRSLC22A2SLC22A1
SCHEMBL24272949 0.74 MAPT (0.50) ESRRGEPHX2MAPTNPC1RAB9A
SCHEMBL398885 0.72 EPHX2 (0.46) ESRRGEPHX2MAPTNPC1RAB9A
SCHEMBL10389091 0.72 NPC1 (0.58) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL2715966 0.72 KDM4E (0.70) ESRRGMAPTLMNAALDH1A1ACACB
SCHEMBL19938019 0.71 MLYCD (0.67) ESRRGEPHX2MAPTNPC1RAB9A

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 ESRRG 23/4885EPHX2 4301/4885MAPT 4813/4885

“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.