SCHEMBL451789

SCHEMBL451789

NC(=O)C1CCN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
LTA4H P09960 4/20 0.57
HRH3 Q9Y5N1 1/20 0.55
S1PR5 Q9H228 3/20 0.52
CAPN1 P07384 1/20 0.51
S1PR1 P21453 1/20 0.49
KCNH2 Q12809 1/20 0.48

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
Hydrochloric Acid SCHEMBL948223 0.91 S1PR5 (0.61) LTA4HHRH3S1PR5S1PR1
Hydrochloric Acid SCHEMBL947211 0.90 S1PR5 (0.59) LTA4HHRH3S1PR5CAPN1S1PR1
SCHEMBL451853 0.89 S1PR5 (0.55) NPC1RAB9ALTA4HHRH3S1PR5
SCHEMBL948518 0.88 S1PR1 (0.63) LTA4HHRH3S1PR5S1PR1
Hydrochloric Acid SCHEMBL947322 0.87 S1PR1 (0.62) LTA4HHRH3S1PR5S1PR1
SCHEMBL450906 0.86 RAB9A (0.57) NPC1RAB9ALTA4HHRH3
SCHEMBL5176355 0.86 NPC1 (0.73) NPC1RAB9ALTA4HHRH3S1PR5
SCHEMBL452470 0.85 S1PR1 (0.53) NPC1RAB9ALTA4HS1PR5S1PR1
SCHEMBL451673 0.85 LTA4H (0.55) LTA4HHRH3
SCHEMBL448843 0.84 HRH3 (0.63) HRH3

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 2895/4885LTA4H 424/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 NPC1 828/4885RAB9A 2556/4885LTA4H 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.