SCHEMBL16699713

SCHEMBL16699713

O=[N+]([O-])c1ccc(CN(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.65
CRHR2 Q13324 3/20 0.65
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALDH1A1 P00352 6/20 0.56
LMNA P02545 4/20 0.56
PTPRF P10586 1/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN11 Q06124 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ATM Q13315 1/20 0.53
TLR9 Q9NR96 1/20 0.53
NR1D1 P20393 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52

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
SCHEMBL3161760 1.00 CRHBP (0.65) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL16700727 0.98 CRHBP (0.63) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL16706866 0.93 CRHBP (0.62) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL15392240 0.92 LOXL2 (0.59) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL16710114 0.92 CRHBP (0.60) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL16706861 0.92 CRHBP (0.56) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL3161766 0.90 CYP1A2 (0.75) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL20902766 0.89 CRHBP (0.54) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL20902767 0.89 CRHBP (0.57) CRHBPCRHR2CYP1A2CYP2C19CYP2D6
SCHEMBL16700369 0.89 CRHBP (0.57) CRHBPCRHR2CYP1A2CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861568-B1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIV OSLO (NO) 2019-04-17 EP disclosed
EP-2861568-B1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIV OSLO (NO) 2019-04-17 EP disclosed
US-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 US disclosed
US-9585880-B2 Cyclic amino compounds for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-03-07 US disclosed
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 US disclosed
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 US disclosed
US-20150141456-A1 CYCLIC AMINO COMPOUNDS FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-21 US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 US 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 CRHBP 1403/4885CRHR2 2740/4885CYP1A2 2116/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 CRHBP 1366/4885CRHR2 2564/4885CYP1A2 2050/4885
US-20150141456-A1 CYCLIC AMINO COMPOUNDS FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, AKAP8L CRHBP 1009/4885CRHR2 2458/4885CYP1A2 3454/4885

“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.