SCHEMBL249429

SCHEMBL249429

CCN(CC)CCc1cccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
CYP19A1 P11511 1/20 0.53
SIGMAR1 Q99720 1/20 0.50
DRD3 P35462 4/20 0.49
DRD2 P14416 3/20 0.49
DRD1 P21728 2/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
OPRM1 P35372 3/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
OPRK1 P41145 3/20 0.45

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
SCHEMBL29943821 1.00 MAOA (0.55) MAOAMAOBCYP19A1SIGMAR1DRD3
SCHEMBL10647922 0.98 MAOA (0.57) MAOAMAOBCYP19A1SIGMAR1DRD3
SCHEMBL10646371 0.91 BCHE (0.54) MAOAMAOBCYP19A1SIGMAR1DRD3
SCHEMBL10555327 0.87 DRD2 (0.65) MAOAMAOBCYP19A1SIGMAR1DRD3
SCHEMBL10553154 0.84 DRD3 (0.61) MAOAMAOBCYP19A1SIGMAR1DRD3
SCHEMBL31480967 0.81 TAAR1 (0.61) MAOAMAOBCYP19A1SIGMAR1HTR1A
SCHEMBL529408 0.81 TAAR1 (0.61) MAOAMAOBCYP19A1SIGMAR1HTR1A
SCHEMBL374433 0.81 PRKCI (0.52) MAOAMAOBCYP19A1BCHEAOC3
SCHEMBL9625092 0.80 KCNH2 (0.69) DRD3DRD2DRD1OPRM1CHRM2
SCHEMBL13212504 0.79 TAAR1 (0.55) SIGMAR1DRD3DRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
EP-2061779-B1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INT (DE) 2013-11-06 EP disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 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
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
EP-1560829-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY (II) HOFFMANN LA ROCHE (CH) 2008-02-20 EP 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

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-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE MAOA 395/4885MAOB 373/4885CYP19A1 1525/4885

“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.