SCHEMBL3587010

SCHEMBL3587010

CC(C)CNCCCCC(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.50
LTA4H P09960 1/20 0.46
ACE2 Q9BYF1 1/20 0.43
GABRR1 P24046 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TBXAS1 P24557 2/20 0.37
EPHX1 P07099 1/20 0.37
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
CA2 P00918 1/20 0.35
CA1 P00915 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL14199857 0.81 GSR (0.50) BLMCYP1A2CYP2C19
SCHEMBL18272798 0.81 ACE2 (0.52) BLMLTA4HACE2GABRR1CYP1A2
SCHEMBL18197368 0.79 APAF1 (0.40) BLMACE2GABRR1CYP1A2CYP2D6
SCHEMBL15432223 0.79 KDM4E (0.41) BLMLTA4HACE2GABRR1CYP1A2
SCHEMBL23099385 0.78 LTA4H (0.47) BLMLTA4HACE2GABRR1CYP1A2
SCHEMBL7179523 0.78 BLM (0.65) BLMLTA4HACE2GABRR1CYP1A2
SCHEMBL16330413 0.78 BLM (0.65) BLMLTA4HACE2GABRR1CYP1A2
SCHEMBL9910890 0.78 LTA4H (0.50) BLMLTA4HACE2GABRR1CYP1A2
SCHEMBL23981544 0.78 LTA4H (0.50) BLMLTA4HACE2GABRR1CYP1A2
SCHEMBL13343956 0.77 BLM (0.78) BLMLTA4HACE2GABRR1CYP1A2

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 BLM 4391/4885LTA4H 334/4885ACE2 1525/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 BLM 3181/4885LTA4H 149/4885ACE2 1548/4885

“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.