SCHEMBL448872

SCHEMBL448872

N#CCCNCc1ccc2cc(OCCCc3ccccc3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.55
BCHE P06276 7/20 0.49
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
DRD4 P21917 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
ADRB2 P07550 1/20 0.42

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
SCHEMBL947719 0.81 S1PR1 (0.70) PPARGS1PR1S1PR3
SCHEMBL948219 0.80 S1PR1 (0.65) PPARGBCHES1PR1S1PR3
Hydrochloric Acid SCHEMBL3541048 0.80 S1PR1 (0.68) PPARGS1PR1S1PR3
SCHEMBL451344 0.80 PPARG (0.56) PPARGBCHES1PR1S1PR3
SCHEMBL454055 0.80 PPARG (0.56) PPARGBCHES1PR1S1PR3
SCHEMBL947200 0.78 FFAR1 (0.59) PPARGS1PR1S1PR3
SCHEMBL15890895 0.78 S1PR1 (0.70) PPARGS1PR1S1PR3
SCHEMBL451029 0.77 NPY1R (0.53) PPARGBCHE
SCHEMBL15890904 0.77 S1PR1 (0.71) PPARGS1PR1S1PR3
Hydrochloric Acid SCHEMBL5722062 0.77 S1PR1 (0.69) PPARGS1PR1S1PR3

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 5 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

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 PPARG 2164/4885BCHE 3683/4885S1PR1 1/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 PPARG 2217/4885BCHE 3570/4885S1PR1 1/4885

“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.