SCHEMBL496908

SCHEMBL496908

Nc1cc2c(c(C(F)(F)F)c1)CC(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.37
PTK2B Q14289 1/20 0.36
GSK3B P49841 7/20 0.36
CDK5 Q00535 7/20 0.36
CDK5R1 Q15078 7/20 0.36
CCNB2 O95067 5/20 0.36
CDK1 P06493 5/20 0.36
CCNB1 P14635 5/20 0.36
CCNB3 Q8WWL7 5/20 0.36
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CRBN Q96SW2 1/20 0.34
CMA1 P23946 1/20 0.34
AHR P35869 1/20 0.34
KIF11 P52732 2/20 0.34
AR P10275 2/20 0.33
GSK3A P49840 2/20 0.33
TDP2 O95551 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
SCHEMBL6179151 0.80 GSK3B (0.41) PTK2BGSK3BCDK5CDK5R1CCNB2
SCHEMBL10129810 0.80 POLB (0.37) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL31698083 0.80 CMA1 (0.45) PTK2BGSK3BCDK5CDK5R1CCNB2
SCHEMBL29958816 0.80 EPHX2 (0.37) PTK2BGSK3BCDK5CDK5R1CCNB2
SCHEMBL12992123 0.74 GRIA1 (0.41) CA9GSK3BCDK5CDK5R1CCNB2
SCHEMBL496039 0.74 AHR (0.44) CA9GSK3BCDK5CDK5R1CCNB2
SCHEMBL13037464 0.73 CA9 (0.37) CA9GSK3BCDK5CDK5R1CCNB2
SCHEMBL1450511 0.72 GSK3B (0.35) PTK2BGSK3BCDK5CDK5R1CCNB2
SCHEMBL17974653 0.72 AHR (0.44) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL28072470 0.71 TDP1 (0.41) CA9GSK3BCDK5CDK5R1CCNB2

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 17 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
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
CN-100562513-C Benzamide derivatives or its salt ASTELLAS PHARMA INC (JP) 2009-11-25 CN 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-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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
CN-101312720-A 2-aminobenzamide derivative ASTELLAS PHARMA INC (JP) 2008-11-26 CN disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP disclosed
US-20070167444-A1 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. 2007-07-19 US disclosed
CN-1805923-A Benzamide derivative or salt thereof ASTELLAS PHARMA INC (JP) 2006-07-19 CN 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 (3 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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 CA9 1791/4885PTK2B 3654/4885GSK3B 4447/4885
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 CA9 1963/4885PTK2B 4148/4885GSK3B 3710/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 CA9 1450/4885PTK2B 4165/4885GSK3B 3154/4885

“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.