SCHEMBL449197

SCHEMBL449197

OC1CCCN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
MCHR1 Q99705 4/20 0.54
LTA4H P09960 3/20 0.51
HRH3 Q9Y5N1 6/20 0.49
HTT P42858 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
S1PR5 Q9H228 2/20 0.47

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
SCHEMBL451101 0.94 LTA4H (0.55) ALDH1A1MCHR1LTA4HHRH3
SCHEMBL454069 0.94 LTA4H (0.55) ALDH1A1MCHR1LTA4HHRH3
SCHEMBL451484 0.88 CYP2D6 (0.54) LTA4HHRH3HTTS1PR5
SCHEMBL448521 0.88 HRH3 (0.66) HRH3
SCHEMBL450906 0.87 RAB9A (0.57) ALDH1A1LTA4HHRH3SIGMAR1HTR2A
SCHEMBL5173773 0.86 ALDH1A1 (0.69) ALDH1A1MCHR1LTA4HHRH3CHRM1
SCHEMBL450172 0.86 HRH3 (0.57) LTA4HHRH3SIGMAR1
SCHEMBL450171 0.86 HRH3 (0.54) LTA4HHRH3SIGMAR1
SCHEMBL451853 0.85 S1PR5 (0.55) LTA4HHRH3S1PR5
SCHEMBL453604 0.85 HRH3 (0.60) LTA4HHRH3SIGMAR1

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 ALDH1A1 2245/4885MCHR1 335/4885LTA4H 424/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 ALDH1A1 2082/4885MCHR1 286/4885LTA4H 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.