SCHEMBL495787

SCHEMBL495787

CCN1C(C)(C)CC(Nc2cc(Cl)ccc2C#N)CC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 13/20 0.40
NOS3 P29474 10/20 0.40
NOS1 P29475 10/20 0.40
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
EZH2 Q15910 1/20 0.36
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
PGR P06401 1/20 0.33
ATM Q13315 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
SCHEMBL496064 0.80 PRKCQ (0.45) NOS2NOS3NOS1ALDH1A1LMNA
SCHEMBL495856 0.73 MEN1 (0.48) NOS2NOS3NOS1ALDH1A1LMNA
SCHEMBL22093103 0.72 MEN1 (0.47) NOS2MEN1KMT2AKDM4EGAA
SCHEMBL15025471 0.70 NOS3 (0.39) NOS2NOS3NOS1ALDH1A1LMNA
SCHEMBL496536 0.68 PKM (0.41)
SCHEMBL12895724 0.66 ALDH1A1 (0.47) NOS2ALDH1A1LMNAMEN1KMT2A
SCHEMBL2119574 0.64 KMT5B (0.40) NOS2NOS3NOS1MEN1KMT2A
SCHEMBL495871 0.62 SIGMAR1 (0.43) NOS2NOS3NOS1ALDH1A1LMNA
SCHEMBL495859 0.62 SIGMAR1 (0.43) NOS2NOS3NOS1ALDH1A1LMNA
SCHEMBL2709835 0.62 IRAK4 (0.39) NOS2ALDH1A1LMNAMEN1KMT2A

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 5 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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 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

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 NOS2 1774/4885NOS3 2387/4885NOS1 1785/4885

“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.