SCHEMBL1735199

SCHEMBL1735199

CCN(CC)CCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.74
CHRNA4 P43681 1/20 0.74
KCNH2 Q12809 1/20 0.56
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.56
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 1/20 0.50
CHRNA7 P36544 1/20 0.50
KMT2A Q03164 1/20 0.50
ALK Q9UM73 1/20 0.49
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
ESR1 P03372 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47

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
SCHEMBL1284065 0.93 CHRNB2 (0.68) CHRNB2CHRNA4KCNH2KDM4ETSHR
SCHEMBL3213420 0.85 CHRNB2 (1.00) CHRNB2CHRNA4KCNH2KDM4EMAPT
SCHEMBL4935255 0.84 CHRNB2 (0.68) CHRNB2CHRNA4KCNH2TSHRMAPT
SCHEMBL7042749 0.83 CHRNB2 (0.67) CHRNB2CHRNA4MAPTLMNAHPGD
SCHEMBL2374109 0.83 CHRNB2 (0.70) CHRNB2CHRNA4TSHRMAPTKMT2A
SCHEMBL15498199 0.83 CHRNB2 (0.73) CHRNB2CHRNA4TSHRMAPTKMT2A
SCHEMBL17905717 0.82 CHRNB2 (0.68) CHRNB2CHRNA4TSHRMAPTKMT2A
SCHEMBL1735260 0.82 KCNH2 (0.79) KCNH2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27750455 0.82 CHRNB2 (0.72) CHRNB2CHRNA4MAPTKMT2ALMNA
SCHEMBL7038466 0.81 CHRNB2 (0.86) CHRNB2CHRNA4KDM4EMAPTKMT2A

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102796075-B Benzocycloheptenes derivative as well as preparation method and medical application thereof INST PHARM & TOXICOLOGY AMMS 2014-03-12 CN disclosed
CN-101481323-B Benzocycloheptenes derivatives, preparation method and medical application thereof POISON MED INST PLA MED ACAD 2013-11-20 CN disclosed
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP disclosed
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP disclosed
US-7638523-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-12-29 US disclosed
US-7638523-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-12-29 US disclosed
US-7638523-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-12-29 US disclosed
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 US disclosed
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 US disclosed
US-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2009-10-22 US disclosed
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-06-12 US disclosed
EP-1928236-A2 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM, LLC (BM) 2008-06-11 EP disclosed
WO-2007038669-A9 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC 2008-05-29 WO disclosed
WO-2007038669-A9 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC 2008-05-29 WO disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
WO-2007038669-A2 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2007-04-05 WO disclosed
WO-2007038669-A2 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2007-04-05 WO disclosed
WO-2003026666-A1 2-PHENYLAMINO-4- (5-PYRAZOLYLAMINO)-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS, IN PARTICULAR, AS SRC KINASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO 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-20090264649-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CHRNB2 254/4885CHRNA4 332/4885KCNH2 837/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE CHRNB2 254/4885CHRNA4 332/4885KCNH2 837/4885
US-20080139559-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE CHRNB2 254/4885CHRNA4 332/4885KCNH2 837/4885

“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.