SCHEMBL1177333

SCHEMBL1177333

CC(C)N1CCN(C(=O)c2cccc(CN3CCCCC3)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.73
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
HIF1A Q16665 1/20 0.60
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HTR1A P08908 1/20 0.59
DRD2 P14416 1/20 0.59
ADRA1D P25100 1/20 0.59
HTR1B P28222 1/20 0.59
ADRA1A P35348 1/20 0.59
ADRA1B P35368 1/20 0.59
DRD3 P35462 1/20 0.59

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
SCHEMBL1177113 0.88 HRH3 (0.74) HRH3MEN1LMNATSHRMAPK1
SCHEMBL24755559 0.86 HRH3 (0.71) HRH3CYP2D6CYP2C9HIF1AMEN1
SCHEMBL13636331 0.85 HRH3 (1.00) HRH3
SCHEMBL120164 0.85 HRH3 (1.00) HRH3
SCHEMBL23102110 0.84 HRH3 (0.55) HRH3MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1177654 0.84 HRH3 (0.97) HRH3
SCHEMBL19605006 0.83 HRH3 (0.59) HRH3MEN1LMNATSHRMAPK1
SCHEMBL4932023 0.83 HRH3 (1.00) HRH3
SCHEMBL20812317 0.82 ACACB (0.54) HRH3MEN1LMNATSHRMAPK1
Hydrochloric Acid SCHEMBL1177298 0.82 HRH3 (0.97) HRH3

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 32 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
EP-2121636-A2 PROCESS FOR THE PREPARATION OF PIPERAZINYL AND DIAZEPANYL BENZAMIDE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2009-11-25 EP 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 HRH3 4/4885CYP2D6 1452/4885CYP2C9 2056/4885
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES HRH2, HNMT, HRH3 HRH3 3/4885CYP2D6 1113/4885CYP2C9 1257/4885
US-20100197689-A1 NOVEL PROCESSES FOR THE PREPARATION OF PIPERAZINYL AND DIAZAPANYL BENZAMIDE DERIVATIVES HRH2, HRH4, HRH1 HRH3 4/4885CYP2D6 1452/4885CYP2C9 2056/4885
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides HRH2, HNMT, HRH3 HRH3 3/4885CYP2D6 1113/4885CYP2C9 1257/4885
US-20110105752-A1 PROCESS FOR THE PREPARATION OF PIPERAZINYL AND DIAZEPANYL BENZAMIDE DERIVATIVES HRH4, HRH3, HRH2 HRH3 2/4885CYP2D6 1209/4885CYP2C9 2233/4885

“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.