SCHEMBL453926

SCHEMBL453926

c1ccc(CCCCCOc2ccc3cc(CN4CCN(c5ccccn5)CC4)ccc3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.61
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 2/20 0.61
LMNA P02545 2/20 0.61
TSHR P16473 2/20 0.61
HPGD P15428 1/20 0.61
ALOX12 P18054 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
NPC1 O15118 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
POLB P06746 1/20 0.57
MAPK1 P28482 1/20 0.53
HTR1A P08908 4/20 0.52
DRD2 P14416 3/20 0.52
HTR2A P28223 3/20 0.52
HTR7 P34969 3/20 0.52
DRD3 P35462 3/20 0.52

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
SCHEMBL454209 0.90 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRSLC6A2SLC6A4
SCHEMBL15551274 0.89 SLC6A2 (0.61) HTTALDH1A1KDM4ELMNATSHR
SCHEMBL450172 0.84 HRH3 (0.57) TSHRHRH3
SCHEMBL450171 0.84 HRH3 (0.54) HRH3
SCHEMBL16920608 0.83 HTR1A (0.53) HTTALDH1A1KDM4ELMNATSHR
SCHEMBL452159 0.83 NPC1 (0.58) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL453604 0.82 HRH3 (0.60) TSHRHRH3
SCHEMBL451150 0.82 HRH3 (0.60) TSHRHRH3
SCHEMBL449937 0.82 HRH3 (0.60) TSHRHRH3
SCHEMBL450886 0.81 HRH3 (0.57) TSHRHRH3

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 HTT 4875/4885ALDH1A1 2245/4885KDM4E 1662/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 HTT 4874/4885ALDH1A1 2082/4885KDM4E 1605/4885

“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.