Sugi Predict

Sugi Predict / Compounds / SCHEMBL1089679

SCHEMBL1089679

SCHEMBL1089679

c1ccc(-c2ccc(CN3CCCC3CNc3nccc(N4CCCCCC4)n3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.54
▸ OGA O60502 6/20 0.46
▸ HRH4 Q9H3N8 3/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HRH2 P25021 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ HTR5A P47898 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ ALK Q9UM73 2/20 0.41
▸ SPHK1 Q9NYA1 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
SCHEMBL1089342 0.94 CXCR4 (0.58) CXCR4OGAHRH4HRH3ADRA2B
SCHEMBL1089821 0.90 CXCR4 (0.49) CXCR4OGAHRH4HRH3ADRA2B
SCHEMBL1090272 0.89 CXCR4 (0.50) CXCR4OGAHRH4HRH3ADRA2B
SCHEMBL1088341 0.89 CXCR4 (0.50) CXCR4OGAHRH4HRH3ALK
SCHEMBL1089884 0.88 CXCR4 (0.49) CXCR4OGAHRH4HRH3SPHK1
SCHEMBL1089413 0.88 CXCR4 (0.50) CXCR4OGAHRH4HRH3ADRA2B
SCHEMBL1090590 0.85 CXCR4 (0.49) CXCR4OGAHRH4HRH3ADRA2B
SCHEMBL1089365 0.85 CXCR4 (0.47) CXCR4OGAHRH4HRH3ALK
SCHEMBL1089819 0.85 CXCR4 (0.47) CXCR4OGAHRH4HRH3MRGPRX1
SCHEMBL1089062 0.85 CXCR4 (0.47) CXCR4OGAHRH4HRH3ADRA2B

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 CXCR4 1/4885OGA 2052/4885HRH4 130/4885
US-20070167459-A1 Nitrogen-containing heterocyclic compounds and medicinal use thereof CXCR4, CXCL12, CXCR3 CXCR4 1/4885OGA 2052/4885HRH4 130/4885
US-20120156219-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF CXCR4, CXCL12, CXCR3 CXCR4 1/4885OGA 2052/4885HRH4 130/4885

“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.