SCHEMBL449570

SCHEMBL449570

O=CN1CCCN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 5/20 0.46
CHKA P35790 1/20 0.45
MAOB P27338 8/20 0.44
MAOA P21397 5/20 0.44
LTA4H P09960 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 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
SCHEMBL450171 0.91 HRH3 (0.54) KMT2AHRH3CHKALTA4H
SCHEMBL450172 0.89 HRH3 (0.57) KMT2AHRH3LTA4HACHE
SCHEMBL453604 0.88 HRH3 (0.60) KMT2AHRH3LTA4HACHE
SCHEMBL449937 0.88 HRH3 (0.60) KMT2AHRH3LTA4HACHE
SCHEMBL451150 0.88 HRH3 (0.60) KMT2AHRH3LTA4HACHE
SCHEMBL450886 0.87 HRH3 (0.57) KMT2AHRH3LTA4HACHE
SCHEMBL453880 0.86 CHKA (0.63) HRH3CHKALTA4H
SCHEMBL448987 0.85 PKM (0.58) KMT2AHRH3CHKAMAOBMAOA
SCHEMBL452159 0.84 NPC1 (0.58) KMT2AHRH3MAOBMAOA
SCHEMBL448035 0.83 LTA4H (0.56) KMT2AHRH3LTA4HACHE

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 KMT2A 2641/4885HRH3 107/4885CHKA 1703/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 KMT2A 2410/4885HRH3 94/4885CHKA 1559/4885

“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.