SCHEMBL451197

SCHEMBL451197

CCN(CC)C(=O)C1CCCN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)C1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.72
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 3/20 0.58
RAB9A P51151 1/20 0.57
S1PR5 Q9H228 4/20 0.56
HTT P42858 1/20 0.54
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL451853 0.88 S1PR5 (0.55) POLBKDM4ERAB9AS1PR5L3MBTL1
SCHEMBL449197 0.82 ALDH1A1 (0.56) ALDH1A1S1PR5HTT
SCHEMBL448521 0.82 HRH3 (0.66)
SCHEMBL449244 0.81 S1PR5 (0.46) POLBKDM4ES1PR5MEN1KMT2A
SCHEMBL451484 0.81 CYP2D6 (0.54) S1PR5HTT
Hydrochloric Acid SCHEMBL946297 0.80 S1PR1 (0.61) S1PR5
SCHEMBL454069 0.80 LTA4H (0.55) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL451101 0.80 LTA4H (0.55) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL454043 0.80 HRH3 (0.45) POLBKDM4ES1PR5LMNAMEN1
Hydrochloric Acid SCHEMBL948349 0.79 S1PR1 (0.62) S1PR5

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 POLB 4430/4885KDM4E 1662/4885ALDH1A1 2245/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 POLB 4505/4885KDM4E 1605/4885ALDH1A1 2082/4885

“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.