SCHEMBL1024211

SCHEMBL1024211

CN1CCN(c2cc(Cl)nc(N)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.70
HRH3 Q9Y5N1 1/20 0.70
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
MAPT P10636 1/20 0.66
KMT2A Q03164 1/20 0.64

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
SCHEMBL1774506 0.94 HRH4 (0.71) HRH4HRH3CYP1A2CYP2D6MAPT
SCHEMBL2167266 0.87 HRH4 (0.89) HRH4HRH3
SCHEMBL1318180 0.84 MAPT (0.72) HRH4HRH3CYP1A2CYP2D6MAPT
SCHEMBL3719291 0.84 MAPT (0.72) HRH4HRH3CYP1A2CYP2D6MAPT
SCHEMBL1505630 0.83 HRH4 (0.56) HRH4HRH3
SCHEMBL1318490 0.82 CYP1A2 (0.70) HRH4CYP1A2CYP2D6MAPTKMT2A
SCHEMBL1320033 0.82 CYP1A2 (0.70) HRH4CYP1A2CYP2D6MAPTKMT2A
SCHEMBL2169898 0.82 HRH4 (1.00) HRH4HRH3
SCHEMBL2166485 0.82 HRH4 (1.00) HRH4HRH3
SCHEMBL30488018 0.82 HRH4 (1.00) HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802672-B2 Pyrimidinyl-piperazines useful as D3/D2 receptor ligands RICHTER GEDEON NYRT. (HU) 2014-08-12 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-20130244999-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2013-09-19 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
US-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed
EP-2379523-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS Incyte Corporation (US) 2011-10-26 EP disclosed
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US disclosed
EP-2132185-A2 PYRIMIDINYL-PIPERAZINES USEFUL AS DOPAMINE D3/D2 RECEPTOR LIGANDS Richter Gedeon NYRT (HU) 2009-12-16 EP disclosed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP disclosed
US-20090143398-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT. (HU) 2009-06-04 US disclosed
WO-2008125891-A2 PYRIMIDINYL-PIPERAZINES USEFUL AS DOPAMINE D3 /D2 RECEPTOR LIGANDS RICHTER GEDEON NYRT (HU) 2008-10-23 WO disclosed
CN-101277951-A 2-aminopyrimidine derivatives as modulators of the histamine H4 receptor activity PALAU PHARMA SA (ES) 2008-10-01 CN disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 US disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 US disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 US disclosed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 HRH4 1/4885HRH3 4/4885CYP1A2 814/4885
US-20130244999-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 HRH4 1/4885HRH3 4/4885CYP1A2 858/4885
US-20090143398-A1 PYRIMIDINYL-PIPERAZINES USEFUL AS D3/D2 RECEPTOR LIGANDS DRD2, DRD3, AVPR2 HRH4 240/4885HRH3 175/4885CYP1A2 962/4885
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 HRH4 1/4885HRH3 3/4885CYP1A2 515/4885
US-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885CYP1A2 2430/4885

“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.