SCHEMBL451158

SCHEMBL451158

COC[C@@H]1CCCN1C(=O)CCc1ccc(OCCCCCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
FFAR1 O14842 3/20 0.52
KDM4E B2RXH2 1/20 0.48
S1PR1 P21453 4/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
LTA4H P09960 2/20 0.43
PLA2G4B P0C869 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL15473519 0.89 FFAR1 (0.55) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL15473538 0.89 FFAR1 (0.55) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL447709 0.82 FFAR1 (0.54) MEN1KMT2AFFAR1KDM4ES1PR1
SCHEMBL451752 0.82 FFAR1 (0.54) MEN1KMT2AFFAR1KDM4ES1PR1
SCHEMBL449189 0.82 FFAR1 (0.51) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL453814 0.78 NPC1 (0.68) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL451741 0.74 FAAH (0.48)
SCHEMBL451976 0.74 FAAH (0.48)
SCHEMBL451085 0.74 FFAR1 (0.57) NPC1RAB9AHPGDMEN1KMT2A
SCHEMBL10508873 0.74 NPC1 (0.66) NPC1RAB9AHPGDMEN1KMT2A

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 NPC1 796/4885RAB9A 2895/4885HPGD 657/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 NPC1 828/4885RAB9A 2556/4885HPGD 729/4885

“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.