SCHEMBL3587007

SCHEMBL3587007

CCC(CC(C)C(=O)O)NCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.41
FOLH1 Q04609 2/20 0.41
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ENPEP Q07075 2/20 0.37
MAPT P10636 1/20 0.37
APAF1 O14727 1/20 0.36
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
GABRR1 P24046 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.33
BLM P54132 1/20 0.33
SLC7A5 Q01650 1/20 0.33

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
SCHEMBL8494977 0.78 NAALAD2 (0.45) NAALAD2FOLH1ENPEPMMEACE
SCHEMBL172644 0.77 LMNA (0.39)
SCHEMBL14417047 0.77 LMNA (0.39)
SCHEMBL25633095 0.74 NAALAD2 (0.47) NAALAD2FOLH1ENPEPMAPTMME
SCHEMBL21787529 0.74 LMNA (0.50) NAALAD2FOLH1ENPEPAPAF1GABRR1
SCHEMBL7777047 0.73 LMNA (0.38) CYP2D6CYP2C19
SCHEMBL564048 0.71 MAPT (0.46) NAALAD2FOLH1CYP2D6CYP2C19MAPT
SCHEMBL21322181 0.71 MAPT (0.46) NAALAD2FOLH1CYP2D6CYP2C19MAPT
SCHEMBL24138226 0.70 LMNA (0.61) CYP2D6CYP2C19ALDH1A1
SCHEMBL14037259 0.70 LMNA (0.61) CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20070167444-A1 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. 2007-07-19 US disclosed
EP-1632477-A1 BENZAMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-03-08 EP 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 (2 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-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 NAALAD2 1420/4885FOLH1 1803/4885CYP2D6 2832/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 NAALAD2 1600/4885FOLH1 1977/4885CYP2D6 4286/4885

“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.