SCHEMBL1088977

SCHEMBL1088977

CCCCCCCCCN1CCCC1CNc1nc2c(c(N3CCCCCC3)n1)CCCCC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 3/20 0.36
S1PR5 Q9H228 3/20 0.36
S1PR4 O95977 1/20 0.36
SPHK2 Q9NRA0 2/20 0.35
SPHK1 Q9NYA1 2/20 0.35
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL1088713 1.00 S1PR1 (0.36) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL1089001 0.98 S1PR1 (0.35) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL1089218 0.98 S1PR1 (0.36) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL1088520 0.98 S1PR1 (0.35) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL1089115 0.96 S1PR1 (0.35) S1PR1S1PR3S1PR5S1PR4KMT2A
SCHEMBL1088844 0.88 S1PR1 (0.34) S1PR1S1PR3S1PR5S1PR4SPHK2
SCHEMBL1088966 0.86 KDM4E (0.34) S1PR1S1PR3S1PR5S1PR4KDM4E
SCHEMBL1088821 0.85 HRH2 (0.34) KMT2AKDM4EMEN1HRH2HRH1
SCHEMBL1090328 0.85 HRH2 (0.34) KMT2AKDM4EMEN1HRH2HRH1
SCHEMBL1089836 0.83 HRH2 (0.44) KMT2AKDM4EMEN1HRH2HRH1

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 6 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-8153625-B2 Nitrogen-containing heterocyclic compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-10 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 S1PR1 262/4885S1PR3 369/4885S1PR5 541/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 S1PR1 262/4885S1PR3 369/4885S1PR5 541/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 S1PR1 262/4885S1PR3 369/4885S1PR5 541/4885

“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.