SCHEMBL1088796

SCHEMBL1088796

Clc1nccc(N2CCCCCC2)n1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.51
TRPV1 Q8NER1 11/20 0.50
SORD Q00796 2/20 0.49
CYP1A2 P05177 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
OGA O60502 1/20 0.45
HRH4 Q9H3N8 2/20 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
SCHEMBL2087838 1.00 CXCR4 (0.51) CXCR4TRPV1SORDCYP1A2HRH3
SCHEMBL29519276 0.98 TRPV1 (0.51) CXCR4TRPV1SORDCYP1A2HRH3
SCHEMBL3949154 0.98 TRPV1 (0.51) CXCR4TRPV1SORDCYP1A2HRH3
SCHEMBL1427479 0.94 TRPV1 (0.51) CXCR4TRPV1SORDHRH3OGA
SCHEMBL28219653 0.83 TRPV1 (0.49) TRPV1SORDHRH3OGAHRH4
SCHEMBL2190955 0.81 HRH4 (0.65) TRPV1SORDCYP1A2HRH3HRH4
SCHEMBL11823109 0.81 TRPV1 (0.48) TRPV1SORDHRH3OGAHRH4
SCHEMBL1110658 0.81 PIK3CA (0.50) TRPV1SORDCYP1A2OGA
SCHEMBL29997962 0.81 HRH4 (0.65) TRPV1SORDCYP1A2HRH3HRH4
SCHEMBL5585319 0.81 HRH3 (0.65) TRPV1CYP1A2HRH3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890703-B1 PYRIMIDINE COMPOUNDS AS CHEMOKINE RECEPTORS INHIBITORS TAIGEN BIOTECHNOLOGY CO LTD (TW) 2016-05-11 EP disclosed
US-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 US disclosed
US-8193206-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2012-06-05 US disclosed
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-7589197-B2 Pyrimidine compounds TAIGEN BIOTECHNOLOGY (TW) 2009-09-15 US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 US disclosed
US-20090143302-A1 PYRIMIDINE COMPOUNDS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-06-04 US disclosed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US disclosed
US-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-10 US disclosed
EP-1604981-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-12-14 EP disclosed
EP-1571146-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-09-07 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 (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-20060178399-A1 Nitrogen-containing heterocyclic derivatives and drugs containing the same as the active ingredient HLA-DRB1, ELANE, MMP8 CXCR4 923/4885TRPV1 168/4885SORD 2090/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 CXCR4 1/4885TRPV1 267/4885SORD 642/4885
US-20090143302-A1 PYRIMIDINE COMPOUNDS TYMS, TYMP, HPRT1 CXCR4 247/4885TRPV1 4021/4885SORD 2122/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 CXCR4 1/4885TRPV1 267/4885SORD 642/4885

“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.