SCHEMBL452159

SCHEMBL452159

CCN1CCN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 2/20 0.55
MEN1 O00255 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 1/20 0.48
MAOB P27338 5/20 0.47
MAOA P21397 2/20 0.47
DRD3 P35462 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CCR3 P51677 1/20 0.46

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
SCHEMBL450171 0.89 HRH3 (0.54) KMT2AHRH3
SCHEMBL450172 0.89 HRH3 (0.57) KMT2AHRH3
SCHEMBL451150 0.88 HRH3 (0.60) KMT2AHRH3
SCHEMBL449937 0.88 HRH3 (0.60) KMT2AHRH3
SCHEMBL453604 0.88 HRH3 (0.60) KMT2AHRH3
SCHEMBL450886 0.87 HRH3 (0.57) KMT2AHRH3
SCHEMBL453880 0.87 CHKA (0.63) NPC1RAB9AKDM4ETP53HPGD
SCHEMBL448843 0.86 HRH3 (0.63) KDM4EALDH1A1HRH3
SCHEMBL449802 0.86 HTT (0.52) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL449086 0.86 KMT2A (0.49) KMT2AKDM4EALDH1A1MEN1MAOB

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 2895/4885KMT2A 2641/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 NPC1 828/4885RAB9A 2556/4885KMT2A 2410/4885

“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.