SCHEMBL1795446

SCHEMBL1795446

CC[N]NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.45
IDO1 P14902 2/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44
RIPK1 Q13546 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
HPGD P15428 2/20 0.40
ALOX12 P18054 2/20 0.40
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH7 P40394 1/20 0.40
ALPL P05186 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL1616038 0.79 GRIN2D (0.47) CYP3A4MAPTKDM4EHTTIDO1
SCHEMBL8742975 0.78 ATM (0.54) CYP3A4MAPTIDO1MEN1KMT2A
SCHEMBL1793817 0.76 MAPT (0.52) CYP3A4MAPTKDM4EHTTIDO1
SCHEMBL6718134 0.76 GAA (0.52) CYP3A4MAPTIDO1THRBMEN1
SCHEMBL3277759 0.73 MEN1 (0.50) CYP3A4MAPTKDM4EHTTIDO1
SCHEMBL3277762 0.73 MEN1 (0.50) CYP3A4MAPTKDM4EHTTIDO1
SCHEMBL11884759 0.71 KMT2A (0.48) CYP3A4MAPTKDM4EHTTIDO1
SCHEMBL11126521 0.71 IDO1 (0.48) CYP3A4MAPTKDM4EHTTIDO1
SCHEMBL21192748 0.71 IDO1 (0.48) CYP3A4MAPTKDM4EHTTIDO1
SCHEMBL19069697 0.71 HTT (0.48) CYP3A4MAPTKDM4EHTTIDO1

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 31 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-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF ONO PHARMACEUTICAL CO.,LTD. (JP) 2009-07-30 US disclosed
US-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-07-02 US disclosed
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-05-07 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP 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-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 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

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-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF CXCR4, CXCL12, CXCR3 CYP3A4 3747/4885MAPT 3286/4885KDM4E 4477/4885
US-20140072576-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR1, CXCR3 CYP3A4 3093/4885MAPT 3096/4885KDM4E 4377/4885
US-20090192182-A1 COMPOUND HAVING ACIDIC GROUP WHICH MAY BE PROTECTED, AND USE THEREOF CXCR4, CXCR3, CXCL12 CYP3A4 3067/4885MAPT 3189/4885KDM4E 4632/4885
US-20090118279-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CXCR1, CXCR3 CYP3A4 1723/4885MAPT 2889/4885KDM4E 3862/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 CYP3A4 1461/4885MAPT 3734/4885KDM4E 4354/4885

“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.