SCHEMBL2953849

SCHEMBL2953849

CN(C)CCNc1cc2ccccc2c(N2CCCCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ATM Q13315 2/20 0.47
MAPK1 P28482 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
HPGD P15428 2/20 0.44
SPIN4 Q56A73 1/20 0.43
SPIN3 Q5JUX0 1/20 0.43
SPIN2B Q9BPZ2 1/20 0.43
SPIN1 Q9Y657 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CYP2C19 P33261 1/20 0.42
NCF1 P14598 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PABPC1 P11940 1/20 0.40
EIF4H Q15056 1/20 0.40
DNM2 P50570 1/20 0.40
GLA P06280 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
SCHEMBL2948586 0.80 NCF1 (0.55) L3MBTL1KDM4EHRH3NCF1MEN1
SCHEMBL1090089 0.78 MRGPRX1 (0.61) L3MBTL1KDM4EATMMAPK1CTDSP1
SCHEMBL1089644 0.78 MRGPRX1 (0.61) L3MBTL1KDM4EATMMAPK1CTDSP1
SCHEMBL1089641 0.78 MRGPRX1 (0.61) L3MBTL1KDM4EATMMAPK1CTDSP1
SCHEMBL2955096 0.78 PARP1 (0.43) L3MBTL1KDM4EATMMAPK1CTDSP1
SCHEMBL1089104 0.77 MRGPRX1 (0.63) L3MBTL1KDM4EATMMAPK1CTDSP1
SCHEMBL2953196 0.72 NCF1 (0.62) L3MBTL1KDM4EHPGDHRH3NCF1
SCHEMBL1090582 0.71 MRGPRX1 (0.59) L3MBTL1KDM4EATMMAPK1CTDSP1
SCHEMBL1088747 0.71 MRGPRX1 (0.59) L3MBTL1KDM4EATMMAPK1CTDSP1
SCHEMBL1089882 0.71 MRGPRX1 (0.59) L3MBTL1KDM4EATMMAPK1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-02 US disclosed
US-7759336-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 US disclosed
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-19 US 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 (3 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-20100221259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 L3MBTL1 2480/4885KDM4E 2001/4885ATM 3194/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 L3MBTL1 2480/4885KDM4E 2001/4885ATM 3194/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 L3MBTL1 2480/4885KDM4E 2001/4885ATM 3194/4885

“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.