SCHEMBL449189

SCHEMBL449189

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.51
CPT2 P23786 1/20 0.51
CPT1A P50416 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
FKBP1A P62942 2/20 0.45
F2 P00734 2/20 0.45
LTA4H P09960 2/20 0.45

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
SCHEMBL447709 0.87 FFAR1 (0.54) FFAR1MEN1KMT2AKDM4ES1PR1
SCHEMBL451752 0.87 FFAR1 (0.54) FFAR1MEN1KMT2AKDM4ES1PR1
SCHEMBL15473538 0.82 FFAR1 (0.55) FFAR1MEN1KMT2AKDM4ENPC1
SCHEMBL15473519 0.82 FFAR1 (0.55) FFAR1MEN1KMT2AKDM4ENPC1
SCHEMBL451158 0.82 NPC1 (0.53) FFAR1MEN1KMT2AKDM4ENPC1
SCHEMBL447985 0.79 SPHK1 (0.47) FFAR1MEN1KMT2AS1PR1FKBP1A
SCHEMBL449093 0.78 DPP4 (0.58) MEN1KMT2ANPC1RAB9AF2
SCHEMBL453814 0.77 NPC1 (0.68) FFAR1MEN1KMT2ANPC1RAB9A
SCHEMBL10510787 0.74 ACE (0.58) MEN1KMT2ANPC1RAB9AFKBP1A
SCHEMBL3144462 0.74 ACE (0.64) NPC1HPGDF2

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 FFAR1 50/4885CPT2 4721/4885CPT1A 3247/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 FFAR1 57/4885CPT2 4722/4885CPT1A 3466/4885

“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.