SCHEMBL496086

SCHEMBL496086

CCOC(=O)c1ccc(OCC(F)(F)F)nc1NCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.43
PTGER4 P35408 2/20 0.41
HPGDS O60760 1/20 0.39
KDM4E B2RXH2 1/20 0.39
FOS P01100 2/20 0.38
JUN P05412 2/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
THRB P10828 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
JAK2 O60674 2/20 0.37
JAK3 P52333 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL10151563 0.85 LIPC (0.47) CRHR1HPGDSKDM4ELIPCLIPG
SCHEMBL496781 0.78 PTGER4 (0.49) CRHR1PTGER4THRBADORA3ADORA2A
SCHEMBL2713637 0.76 KDM4E (0.46) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL16120470 0.71 ALDH1A1 (0.67) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL5859584 0.70 HTT (0.54) KDM4EADORA3ADORA2AADORA1ALDH1A1
SCHEMBL15636201 0.69 SYK (0.45) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL2716290 0.69 NPC1 (0.48) HPGDSNFKB1NFKB2RELAALDH1A1
SCHEMBL31193929 0.69 KDM4E (0.55) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL15635108 0.68 KDM4E (0.46) KDM4EFOSJUNNFKB1NFKB2
SCHEMBL3804006 0.67 POLB (0.43) HPGDSKDM4ERAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 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 (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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 CRHR1 1035/4885PTGER4 832/4885HPGDS 1267/4885

“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.