SCHEMBL454209

SCHEMBL454209

c1ccc(CCCCCOc2ccc3cc(CN4CCN(c5ncccn5)CC4)ccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.52
DRD2 P14416 7/20 0.51
DRD3 P35462 7/20 0.51
DRD4 P21917 5/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR1A P08908 2/20 0.48
DRD1 P21728 1/20 0.48
DRD5 P21918 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A7 Q99884 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 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
SCHEMBL453926 0.90 HTT (0.61) ALDH1A1KDM4ETSHRDRD2DRD3
SCHEMBL450171 0.85 HRH3 (0.54) KMT2A
SCHEMBL450172 0.85 HRH3 (0.57) TSHRKMT2A
SCHEMBL449802 0.84 HTT (0.52) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL452159 0.84 NPC1 (0.58) ALDH1A1KDM4EDRD3KMT2AMEN1
SCHEMBL453604 0.84 HRH3 (0.60) TSHRKMT2A
SCHEMBL451150 0.84 HRH3 (0.60) TSHRKMT2A
SCHEMBL449937 0.84 HRH3 (0.60) TSHRKMT2A
SCHEMBL450886 0.83 HRH3 (0.57) TSHRKMT2A
SCHEMBL449086 0.82 KMT2A (0.49) ALDH1A1KDM4EKMT2AMEN1SLC6A2

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 ALDH1A1 2245/4885KDM4E 1662/4885GAA 4541/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 ALDH1A1 2082/4885KDM4E 1605/4885GAA 4672/4885

“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.