SCHEMBL7657972

SCHEMBL7657972

CCN(CCN1CCN(C(=O)c2cc(C)cc(C)c2)C1=C(C#N)C#N)Cc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.42

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
SCHEMBL10122903 0.92 HRH3 (0.43) HRH3
SCHEMBL10107170 0.90 HRH3 (0.39) HRH3
SCHEMBL7656218 0.86 HRH3 (0.47) HRH3
SCHEMBL14307867 0.84 HRH3 (0.43) HRH3
SCHEMBL7660195 0.79 HRH3 (0.47) HRH3
SCHEMBL7655220 0.76 HRH3 (0.39) HRH3
SCHEMBL7664998 0.75 HRH3 (0.50) HRH3
SCHEMBL7659427 0.74 HRH3 (0.67) HRH3
SCHEMBL7655188 0.71 HRH3 (0.42) HRH3
SCHEMBL7659514 0.69 RAPGEF3 (0.46) 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-1856098-B1 PYRAZINYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORP (US) 2012-08-01 EP disclosed
EP-1856097-B1 PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORP (US) 2012-07-11 EP disclosed
US-8207170-B2 Heterocyclic substituted piperazines with CXCR3 antagonist activity SCHERING CORPORATION (US) 2012-06-26 US disclosed
US-20120157466-A1 HETEROCYCLIC COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY MERCK SHARP & DOHME CORP. 2012-06-21 US disclosed
EP-1937666-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORP (US) 2012-02-22 EP disclosed
US-8017616-B2 Heterocyclic substituted pyridine compounds with CXCR3 antagonist activity SCHERING CORPORATION (US) 2011-09-13 US disclosed
EP-1853583-B1 AMINE-LINKED PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORP (US) 2011-09-07 EP disclosed
EP-1853587-B1 NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE OR PHENYL COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORP (US) 2011-08-03 EP disclosed
US-20110065651-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORPORATION (US) 2011-03-17 US disclosed
US-7902199-B2 Chemokine receptor CXCR3; inflammatory conditions (psoriasis and inflammatory bowel disease), autoimmune diseases, graft rejection, infectious diseases, cancers and tumors, type I diabetes, viral meningitis and tuberculoid leprosy; 1-(pyrid-3-yl)-4-(piperidin-4-yl)piperazines or N-oxides thereof SCHERING CORPORATION (US) 2011-03-08 US disclosed
US-7417045-B2 Heterocyclic substituted pyridine or phenyl compounds with CXCR3 antagonist activity SCHERING CORPORATION (US) 2008-08-26 US disclosed
WO-2008079279-A1 HETEROCYCLIC COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORPORATION (US) 2008-07-03 WO disclosed
US-20080058343-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINE COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORPORATION AND PHARMACOPEIA, INC. 2008-03-06 US disclosed
US-20080039474-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORPORATION 2008-02-14 US disclosed
WO-2007109238-A1 HETEROCYCLIC SUBSTITUTED PYRIDINE COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORPORATION (US) 2007-09-27 WO disclosed
WO-2007047202-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY SCHERING CORPORATION (US) 2007-04-26 WO disclosed
US-20070082913-A1 Substituted heterocyclic compounds with CXCR3 antagonist activity SCHERING CORPORATION 2007-04-12 US disclosed
US-20070054919-A1 Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION 2007-03-08 US disclosed
US-20070021611-A1 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity SCHERING CORPORATION 2007-01-25 US disclosed
US-6469002-B1 COMPOUNDS WHICH MODULATE CHEMOKINE RECEPTOR ACTIVITY AND ARE USEFUL IN TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. 2002-10-22 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 (7 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-20070082913-A1 Substituted heterocyclic compounds with CXCR3 antagonist activity CXCR3, CXCL10, CXCR1 HRH3 233/4885
US-20080058343-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINE COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY CXCR3, CXCR1, ACKR3 HRH3 336/4885
US-20120157466-A1 HETEROCYCLIC COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY CXCR3, ACKR3, CXCR1 HRH3 292/4885
US-20070054919-A1 Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity CXCR3, CXCR1, CCR5 HRH3 260/4885
US-20110065651-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY CXCR3, CXCR1, CCR5 HRH3 215/4885
US-20070021611-A1 Pyridyl and phenyl substituted piperazine-piperidines with CXCR3 antagonist activity CXCR3, CCR1, CCR5 HRH3 243/4885
US-20080039474-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY CXCR3, CXCR1, ACKR3 HRH3 186/4885

“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.