SCHEMBL1616038

SCHEMBL1616038

c1ccc(C[N]NCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
IDO1 P14902 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP3A4 P08684 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
ALOX12 P18054 2/20 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
SCHEMBL10873889 0.88 GRIN2B (0.45) GRIN1GRIN2BSIGMAR1MEN1KMT2A
SCHEMBL1795446 0.79 CYP3A4 (0.48) SIGMAR1IDO1MEN1KMT2ATHRB
SCHEMBL6718134 0.77 GAA (0.52) SIGMAR1IDO1MEN1KMT2ATHRB
SCHEMBL9095120 0.77 NPC1 (0.50) SIGMAR1IDO1CYP3A4MAPTKDM4E
SCHEMBL8513338 0.77 MEN1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11126521 0.73 IDO1 (0.48) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL2370062 0.73 ADH1B (0.54) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL21192748 0.73 IDO1 (0.48) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL19069697 0.73 HTT (0.48) IDO1MEN1KMT2ATHRBTDP1
SCHEMBL9484655 0.73 CYP3A4 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871210-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-10-28 US disclosed
US-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP disclosed
US-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 US disclosed
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-13 US disclosed
US-8618122-B2 Compound having acidic group which may be protected, and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-31 US disclosed
US-8614323-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-24 US disclosed
EP-2657235-A1 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-30 EP disclosed
EP-1942108-B1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-09-04 EP disclosed
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-05-07 US disclosed
EP-2042503-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-04-01 EP disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP disclosed
EP-1942108-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-09 EP disclosed
US-7393867-B2 Substituted thienopyrrole carboxylic acid amides, pyrrolothiazole carboxylic acid amides, and related analogs as inhibitors of casein kinase I AVENTIS PHARMACEUTICALS INC. (US) 2008-07-01 US disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
US-20070299112-A1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMACEUTICAL INC. (US) 2007-12-27 US disclosed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
US-4292232-A Process for the mass coloration of thermoplastics with anthraquinonylaminotraizines CIBA-GEIGY CORPORATION (US) 1981-09-29 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 (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-20070299112-A1 SUBSTITUTED THIENOPYRROLE CARBOXYLIC ACID AMIDES, PYRROLOTHIAZOLE CARBOXYLIC ACID AMIDES, AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I CSNK1A1, CSNK1E, CSNK2A1 GRIN2D 876/4885GRIN3B 1043/4885GRIN1 393/4885
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 GRIN2D 2493/4885GRIN3B 1105/4885GRIN1 951/4885
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CXCR1, CXCR3 GRIN2D 3004/4885GRIN3B 1104/4885GRIN1 882/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 GRIN2D 2294/4885GRIN3B 1070/4885GRIN1 812/4885

“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.