SCHEMBL3167113

SCHEMBL3167113

Cc1nccc(N2CCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.49
SORD Q00796 6/20 0.48
KMT2A Q03164 1/20 0.47
HRH4 Q9H3N8 4/20 0.47
HRH3 Q9Y5N1 4/20 0.47
GBA1 P04062 1/20 0.45
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL13750595 0.98 CXCR4 (0.51) CXCR4SORDKMT2AHRH4HRH3
SCHEMBL31553317 0.98 CXCR4 (0.51) CXCR4SORDKMT2AHRH4HRH3
SCHEMBL24799135 0.96 SORD (0.48) CXCR4SORDKMT2AHRH4HRH3
SCHEMBL5112284 0.85 SORD (0.46) SORDKMT2AHRH4HRH3USP2
SCHEMBL206002 0.85 SORD (0.46) SORDKMT2AHRH4HRH3USP2
SCHEMBL14029975 0.85 HRH4 (0.67) SORDHRH4HRH3USP2KDM4E
SCHEMBL6976678 0.83 HRH3 (0.65) SORDHRH4HRH3USP2KDM4E
SCHEMBL13033968 0.83 KMT2A (0.57) SORDKMT2AHRH4HRH3USP2
SCHEMBL22932938 0.82 OGA (0.52) SORDKMT2AHRH4HRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL6977782 0.82 HRH3 (0.63) HRH4HRH3USP2KDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 EP disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 US disclosed
US-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-09-25 US disclosed
CN-102686580-B imidazole derivatives as casein kinase inhibitors PFIZER 2014-09-10 CN disclosed
US-20140249147-A1 Substituted Bicyclic Aza-Heterocycles and Analogues as Sirtuin Modulators GlaxoSmithKline, LLC (US) 2014-09-04 US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN-CILAG S.A. (ES) 2012-09-06 US disclosed
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN-CILAG S.A. (ES) 2012-09-06 US disclosed
WO-2012083224-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-06-21 WO disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO disclosed
EP-1970373-A1 ALICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-17 EP 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 CXCR4 13/4885SORD 3683/4885KMT2A 1211/4885
US-20140288052-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CXCR4 3716/4885SORD 3954/4885KMT2A 529/4885
US-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 CXCR4 2284/4885SORD 1858/4885KMT2A 1920/4885
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CXCR4 3716/4885SORD 3954/4885KMT2A 529/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 CXCR4 2284/4885SORD 1858/4885KMT2A 1920/4885
US-20140249147-A1 Substituted Bicyclic Aza-Heterocycles and Analogues as Sirtuin Modulators SIRT1, SIRT3, SIRT2 CXCR4 3737/4885SORD 4021/4885KMT2A 547/4885
US-20120225844-A1 BICYCLIC TRIAZOLE AND PYRAZOLE LACTAMS AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRIN3A CXCR4 2704/4885SORD 3287/4885KMT2A 2097/4885

“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.