SCHEMBL3085764

SCHEMBL3085764

CN(Cc1ccc(N)cc1)C1CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.74
HRH4 Q9H3N8 1/20 0.74
LTA4H P09960 2/20 0.50
PARP1 P09874 2/20 0.49
CYP2D6 P10635 2/20 0.48
ABCB11 O95342 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
AR P10275 1/20 0.48
SLC6A2 P23975 1/20 0.48
PDE4A P27815 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
LMNA P02545 2/20 0.47
CYP3A4 P08684 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL12082363 0.84 HRH3 (0.77) HRH3HRH4LTA4HPARP1CYP2D6
SCHEMBL5212497 0.83 HRH3 (0.51) HRH3HRH4SIGMAR1SLC18A3
SCHEMBL313877 0.83 HRH3 (0.51) HRH3HRH4LTA4HPARP1LMNA
SCHEMBL5205578 0.83 HRH3 (0.51) HRH3HRH4LTA4HPARP1CYP2D6
SCHEMBL7684652 0.83 HRH3 (0.51) HRH3HRH4LTA4HPARP1SLC6A2
SCHEMBL16549263 0.82 HRH3 (0.74) HRH3HRH4LTA4HPARP1CYP2D6
SCHEMBL13649128 0.82 HRH3 (0.74) HRH3HRH4LTA4HPARP1CYP2D6
SCHEMBL2393018 0.82 HRH3 (0.74) HRH3HRH4LTA4HPARP1CYP2D6
SCHEMBL7603670 0.81 HRH3 (0.73) HRH3HRH4LTA4HPARP1LMNA
SCHEMBL12084399 0.81 HRH3 (0.73) HRH3HRH4LTA4HPARP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
EP-1765803-B1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-8093428-B2 Synthesis of quaternary salt compounds JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-10 US disclosed
CN-101277689-B Thiazolopyrimidine kinase inhibitors JANSSEN PHARMACEUTICA NV 2011-01-12 CN disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
US-7799824-B2 Quaternary salt CCR2 antagonists ORAPHARMA, INC. (US) 2010-09-21 US disclosed
US-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
CN-101277689-A Thiazolopyrimidine kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2008-10-01 CN disclosed
EP-1765803-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-28 EP disclosed
WO-2006012135-A1 QUATERNARY SALT CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N. V. (BE) 2006-02-02 WO disclosed
WO-2005063239-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 WO disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6376536-B1 VIRICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
US-6096780-A ANTIVIRAL COMPOUND USEFUL FOR TREATING HIV VIRUSES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-01 US disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 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-20090112003-A1 SYNTHESIS OF QUATERNARY SALT COMPOUNDS CCR2, CCR1, CCL11 HRH3 2593/4885HRH4 716/4885LTA4H 1721/4885

“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.