SCHEMBL522796

SCHEMBL522796

O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(C2CCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 1.00
HPGD P15428 1/20 0.70
L3MBTL3 Q96JM7 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
MBTD1 Q05BQ5 1/20 0.67
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.57

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
Hydrochloric Acid SCHEMBL1450634 0.99 HRH3 (0.98) HRH3HPGDL3MBTL3L3MBTL1MBTD1
Bavisant SCHEMBL522603 0.95 HRH3 (1.00) HRH3HPGDL3MBTL3L3MBTL1MBTD1
Bavisant SCHEMBL521755 0.94 HRH3 (1.00) HRH3HPGDL3MBTL3L3MBTL1MBTD1
Bavisant SCHEMBL29665225 0.93 HRH3 (0.98) HRH3HPGDL3MBTL3L3MBTL1MBTD1
SCHEMBL1449909 0.89 HRH3 (1.00) HRH3HPGDL3MBTL3L3MBTL1MBTD1
Citric Acid SCHEMBL1449579 0.89 HRH3 (0.79) HRH3HPGDL3MBTL3L3MBTL1MBTD1
SCHEMBL1177463 0.86 HRH3 (0.77) HRH3HPGDL3MBTL3L3MBTL1MBTD1
SCHEMBL1449894 0.85 HRH3 (0.76) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL1014002 0.84 HPGD (0.86) HRH3HPGDGAASMN1; SMN2
Bavisant SCHEMBL1449946 0.84 HRH3 (0.78) HRH3HPGDL3MBTL3L3MBTL1MBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680273-B2 Process for the preparation of piperazinyl and diazepanyl benzamide derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US disclosed
CN-101321730-B Cyclopropylamines as modulators of the histamine H3 receptor JANSSEN PHARMACEUTICA NV 2012-11-14 CN disclosed
US-20120283433-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES MANI NEELAKANDHA S (US) 2012-11-08 US disclosed
US-20120283433-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES MANI NEELAKANDHA S (US) 2012-11-08 US disclosed
US-20120283433-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES MANI NEELAKANDHA S (US) 2012-11-08 US disclosed
CN-102659718-A Processes for the preparation of cyclopropyl-amide derivatives JANSSEN PHARMACEUTICA NV 2012-09-12 CN disclosed
CN-101300242-B Process for preparing cyclopropyl-amide derivatives JANSSEN PHARMACEUTICA NV 2012-07-11 CN disclosed
US-20120029191-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES MANI NEELAKANDHA S (US) 2012-02-02 US disclosed
US-20120029191-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES MANI NEELAKANDHA S (US) 2012-02-02 US disclosed
US-20120029191-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES MANI NEELAKANDHA S (US) 2012-02-02 US disclosed
US-20070129351-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-07 US disclosed
US-20070129351-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-07 US disclosed
US-20070129351-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-07 US disclosed
WO-2007053386-A2 PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO 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
WO-2007035425-A2 CYCLOPROPYL AMINES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-29 WO disclosed
WO-2007035425-A2 CYCLOPROPYL AMINES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-29 WO disclosed
US-20070066821-A1 CYCLOPROPYL AMINES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-22 US disclosed
US-20070066821-A1 CYCLOPROPYL AMINES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-22 US disclosed
US-20070066821-A1 CYCLOPROPYL AMINES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-22 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-20070066821-A1 CYCLOPROPYL AMINES AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH2 HRH3 1/4885HPGD 714/4885L3MBTL3 3455/4885
US-20070129351-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES HRH4, HRH2, HRH1 HRH3 4/4885HPGD 300/4885L3MBTL3 4870/4885
US-20120283433-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES HRH4, HRH2, HRH1 HRH3 4/4885HPGD 300/4885L3MBTL3 4870/4885
US-20120029191-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES HRH4, HRH2, HRH1 HRH3 4/4885HPGD 300/4885L3MBTL3 4870/4885

“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.