SCHEMBL1177142

SCHEMBL1177142

CC(C)N1CCN(C(=O)c2ccc(CNc3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.72
PRKAB2 O43741 4/20 0.54
PRKAG1 P54619 4/20 0.54
PRKAA2 P54646 4/20 0.54
PRKAA1 Q13131 4/20 0.54
PRKAG3 Q9UGI9 4/20 0.54
PRKAG2 Q9UGJ0 4/20 0.54
PRKAB1 Q9Y478 4/20 0.54
MAPK10 P53779 1/20 0.54
HRH3 Q9Y5N1 8/20 0.54
SLC6A4 P31645 1/20 0.53
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
TRPV4 Q9HBA0 1/20 0.50

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
SCHEMBL13636650 0.89 HRH3 (0.60) EPHX2PRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL1177476 0.88 HRH3 (0.61) EPHX2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL13503647 0.86 EPHX2 (0.81) EPHX2HRH3SLC6A4CNR1CNR2
SCHEMBL13636423 0.85 HRH3 (0.60) EPHX2MAPK10HRH3SLC6A4
SCHEMBL13636334 0.84 EPHX2 (0.57) EPHX2MAPK10HRH3SLC6A4
SCHEMBL14088954 0.84 EPHX2 (0.54) EPHX2MAPK10HRH3
Hydrochloric Acid SCHEMBL1177561 0.84 HRH3 (0.58) EPHX2MAPK10HRH3SLC6A4
SCHEMBL3937867 0.84 EPHX2 (1.00) EPHX2PRKAB2PRKAG1PRKAA2PRKAA1
Hydrochloric Acid SCHEMBL1177322 0.83 EPHX2 (0.56) EPHX2MAPK10HRH3SLC6A4
Hydrochloric Acid SCHEMBL1177061 0.83 EPHX2 (0.53) EPHX2MAPK10HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558595-B1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA NV (BE) 2009-11-25 EP claimed
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES APODACA RICHARD L 2008-03-06 US claimed
CN-1729180-A Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA NV (BE) 2006-02-01 CN claimed
EP-1558595-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-03 EP claimed
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA N.V. (BE) 2004-06-10 US claimed
WO-2004037801-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 WO claimed
US-8680273-B2 Process for the preparation of piperazinyl and diazepanyl benzamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US disclosed
EP-2404911-A1 Novel processes for the preparation of piperazinyl and diazapanyl benzamide derivatives Janssen Pharmaceutica NV (BE) 2012-01-11 EP disclosed
US-20110105752-A1 PROCESS FOR THE PREPARATION OF PIPERAZINYL AND DIAZEPANYL BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-7893257-B2 Reacting 4-Morpholin-4-ylmethyl-benzoic acid with 1-cyclopropyl-piperazine dihydrochloride producing (4-Cyclopropyl-piperazin-1-yl)-(4-morpholin-4-ylmethyl-phenyl)-methanone; sleep disorders, attention deficit hyperactivity disorders (ADHD), learning and memory disorders JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 US disclosed
US-20100197689-A1 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-08-05 US disclosed
US-7728129-B2 Processes for the preparation of piperazinyl and diazapanyl benzamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-06-01 US disclosed
CN-101605767-A The method for preparing piperazinyl phenyl carboxamides derivatives and Diazesuberane yl-benzamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2009-12-16 CN disclosed
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES APODACA RICHARD L 2008-03-06 US disclosed
US-20070197508-A1 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 US disclosed
WO-2007053427-A2 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
CN-1729180-A Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA NV (BE) 2006-02-01 CN disclosed
EP-1558595-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-03 EP disclosed
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA N.V. (BE) 2004-06-10 US disclosed
WO-2004037801-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 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 (5 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-20070197508-A1 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES HRH2, HRH4, HRH1 EPHX2 923/4885PRKAB2 1686/4885PRKAG1 1571/4885
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES HRH2, HNMT, HRH3 EPHX2 1050/4885PRKAB2 2137/4885PRKAG1 2378/4885
US-20100197689-A1 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES HRH2, HRH4, HRH1 EPHX2 923/4885PRKAB2 1686/4885PRKAG1 1571/4885
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides HRH2, HNMT, HRH3 EPHX2 1050/4885PRKAB2 2137/4885PRKAG1 2378/4885
US-20110105752-A1 PROCESS FOR THE PREPARATION OF PIPERAZINYL AND DIAZEPANYL BENZAMIDE DERIVATIVES HRH4, HRH3, HRH2 EPHX2 925/4885PRKAB2 1679/4885PRKAG1 1914/4885

“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.