SCHEMBL451508

SCHEMBL451508

c1ccc(CCCCCOc2ccc3cc(CN4CCCNCC4)ccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 8/20 0.50
HRH3 Q9Y5N1 5/20 0.47
LTA4H P09960 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2C P18825 1/20 0.46
CCR2 P41597 1/20 0.46
CXCL12 P48061 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
SLC6A4 P31645 1/20 0.44

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
SCHEMBL450172 0.90 HRH3 (0.57) HRH3LTA4HKMT2ASIGMAR1
SCHEMBL450171 0.90 HRH3 (0.54) HRH3LTA4HKMT2ASIGMAR1
SCHEMBL453604 0.89 HRH3 (0.60) HRH3LTA4HKMT2ASIGMAR1
SCHEMBL449937 0.89 HRH3 (0.60) HRH3LTA4HKMT2ASIGMAR1
SCHEMBL451150 0.89 HRH3 (0.60) HRH3LTA4HKMT2ASIGMAR1
SCHEMBL450886 0.88 HRH3 (0.57) HRH3LTA4HKMT2A
SCHEMBL448035 0.84 LTA4H (0.56) HRH3LTA4HKMT2A
SCHEMBL448543 0.83 MAOA (0.44) HRH3LTA4HKMT2AITGB3ITGA2B
SCHEMBL453880 0.83 CHKA (0.63) HRH3LTA4HSIGMAR1
SCHEMBL449802 0.82 HTT (0.52) HRH3LTA4HKMT2AMEN1SIGMAR1

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-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US claimed
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 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 (2 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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA CXCR4 264/4885HRH3 107/4885LTA4H 424/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 CXCR4 235/4885HRH3 94/4885LTA4H 462/4885

“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.