SCHEMBL1734128

SCHEMBL1734128

CN1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.63
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
FAAH O00519 4/20 0.58

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
SCHEMBL3996605 0.88 MGLL (0.63) MGLLCYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL18424173 0.86 CYP1A2 (0.73) MGLLCYP1A2CYP2D6ALDH1A1FAAH
SCHEMBL26042174 0.86 CYP1A2 (0.69) MGLLCYP1A2CYP2D6ALDH1A1FAAH
SCHEMBL9279984 0.86 KMT2A (0.73) MGLLCYP1A2CYP2D6ALDH1A1FAAH
SCHEMBL640619 0.85 CYP1A2 (0.76) MGLLCYP1A2CYP2D6ALDH1A1FAAH
SCHEMBL15932296 0.85 MGLL (0.59) MGLLCYP1A2CYP2D6ALDH1A1FAAH
SCHEMBL392783 0.85 ALDH1A1 (0.72) MGLLCYP1A2CYP2D6ALDH1A1FAAH
SCHEMBL1281216 0.84 CYP1A2 (0.60) MGLLCYP1A2CYP2D6FAAH
SCHEMBL3044836 0.84 MAPT (0.69) MGLLCYP1A2CYP2D6ALDH1A1FAAH
SCHEMBL1052110 0.84 CYP1A2 (0.60) MGLLCYP1A2CYP2D6FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118488947-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2024-08-13 CN disclosed
US-9156855-B2 Regulation of nitric oxide release and biofilm development Newsouth Innovation Pty Limited (AU) 2015-10-13 US disclosed
US-20140221331-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT UNIVERSITY OF WOLLONGONG (AU) 2014-08-07 US 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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 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
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-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 WO disclosed
EP-0343708-B1 Avermectin derivatives MERCK & CO INC (US) 1995-02-15 EP disclosed
EP-0343708-A2 Avermectin derivatives MERCK & CO. INC. (US) 1989-11-29 EP disclosed
US-4873224-A Avermectin derivatives MERCK & CO., INC. (US) 1989-10-10 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 (4 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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 MGLL 1901/4885CYP1A2 3884/4885CYP2D6 4305/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 MGLL 3695/4885CYP1A2 4042/4885CYP2D6 4143/4885
US-20140221331-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT NOS1, NOS2, NOS3 MGLL 812/4885CYP1A2 1447/4885CYP2D6 3489/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE MGLL 2876/4885CYP1A2 3547/4885CYP2D6 3221/4885

“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.