SCHEMBL495871

SCHEMBL495871

N#Cc1ccc(Cl)cc1N[C@@H]1CCCC[C@@H]1N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.43
NOS2 P35228 3/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN9A Q15858 5/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL495859 1.00 SIGMAR1 (0.43) SIGMAR1NOS2NOS3NOS1ALDH1A1
SCHEMBL496451 0.80 IRAK4 (0.39) NOS2ALDH1A1LMNAMEN1HTT
SCHEMBL2709835 0.80 IRAK4 (0.39) NOS2ALDH1A1LMNAMEN1HTT
SCHEMBL495856 0.78 MEN1 (0.48) NOS2NOS3NOS1ALDH1A1LMNA
SCHEMBL22093103 0.76 MEN1 (0.47) NOS2MEN1KMT2AKDM4EGAA
SCHEMBL495996 0.76 SIGMAR1 (0.48) SIGMAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL496251 0.76 SIGMAR1 (0.48) SIGMAR1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4367918 0.76 ALDH1A1 (0.42) NOS2ALDH1A1LMNAMEN1HTT
SCHEMBL496253 0.76 ALDH1A1 (0.42) NOS2ALDH1A1LMNAMEN1HTT
SCHEMBL497074 0.75 SIGMAR1 (0.47) SIGMAR1ALDH1A1LMNAMEN1KMT2A

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 4 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
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 SIGMAR1 923/4885NOS2 1774/4885NOS3 2387/4885

“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.