SCHEMBL448543

SCHEMBL448543

O=C1CN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.44
MAOB P27338 8/20 0.44
THRB P10828 1/20 0.44
HRH3 Q9Y5N1 5/20 0.42
APP P05067 1/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
KMT2A Q03164 1/20 0.41
LTA4H P09960 1/20 0.41
ACHE P22303 1/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL451508 0.83 CXCR4 (0.50) HRH3ITGB3ITGA2BKMT2ALTA4H
SCHEMBL450172 0.81 HRH3 (0.57) HRH3KMT2ALTA4HACHE
SCHEMBL450171 0.81 HRH3 (0.54) HRH3KMT2ALTA4H
SCHEMBL451150 0.80 HRH3 (0.60) HRH3KMT2ALTA4HACHE
SCHEMBL453604 0.80 HRH3 (0.60) HRH3KMT2ALTA4HACHE
SCHEMBL449937 0.80 HRH3 (0.60) HRH3KMT2ALTA4HACHE
SCHEMBL450886 0.79 HRH3 (0.57) HRH3KMT2ALTA4HACHE
SCHEMBL449321 0.79 KMT2A (0.46) MAOAMAOBHRH3KMT2ALTA4H
SCHEMBL449086 0.78 KMT2A (0.49) MAOAMAOBHRH3KMT2A
SCHEMBL449802 0.78 HTT (0.52) MAOAHRH3KMT2ALTA4H

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 MAOA 2130/4885MAOB 2098/4885THRB 1150/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 MAOA 2174/4885MAOB 2137/4885THRB 1046/4885

“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.