SCHEMBL448987

SCHEMBL448987

OCCN1CCCN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
HRH3 Q9Y5N1 5/20 0.52
ALDH1A1 P00352 1/20 0.52
MAOB P27338 6/20 0.51
MAOA P21397 2/20 0.51
LTA4H P09960 1/20 0.49
CHKA P35790 1/20 0.47
CCR3 P51677 1/20 0.47

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 0.91 HRH3 (0.54) KMT2AHRH3LTA4HCHKA
SCHEMBL450172 0.89 HRH3 (0.57) KMT2AHRH3LTA4H
SCHEMBL453880 0.88 CHKA (0.63) NPC1TP53RAB9AHRH3LTA4H
SCHEMBL451150 0.88 HRH3 (0.60) KMT2AHRH3LTA4H
SCHEMBL449937 0.88 HRH3 (0.60) KMT2AHRH3LTA4H
SCHEMBL453604 0.88 HRH3 (0.60) KMT2AHRH3LTA4H
SCHEMBL450886 0.87 HRH3 (0.57) KMT2AHRH3LTA4H
SCHEMBL449570 0.85 KMT2A (0.47) KMT2AHRH3MAOBMAOALTA4H
SCHEMBL452159 0.84 NPC1 (0.58) KMT2AMEN1NPC1TP53RAB9A
SCHEMBL448035 0.83 LTA4H (0.56) KMT2AHRH3LTA4H

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 PKM 3647/4885KMT2A 2641/4885MEN1 1245/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 PKM 3629/4885KMT2A 2410/4885MEN1 1153/4885

“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.