SCHEMBL451673

SCHEMBL451673

OCC1CCN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
ACHE P22303 2/20 0.53
MAOA P21397 2/20 0.53
BCHE P06276 1/20 0.53
MAOB P27338 1/20 0.53
HRH3 Q9Y5N1 4/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
CHRM1 P11229 1/20 0.52
MCHR1 Q99705 1/20 0.52
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL450543 0.92 MAOA (0.56) ACHEMAOABCHEMAOBHRH3
SCHEMBL450906 0.89 RAB9A (0.57) LTA4HACHEMAOABCHEMAOB
SCHEMBL451484 0.88 CYP2D6 (0.54) LTA4HACHEBCHEHRH3SLC6A2
SCHEMBL448843 0.87 HRH3 (0.63) ACHEHRH3SLC6A2SLC6A4SIGMAR1
Hydrochloric Acid SCHEMBL948223 0.85 S1PR5 (0.61) LTA4HHRH3MCHR1SIGMAR1
SCHEMBL450171 0.85 HRH3 (0.54) LTA4HHRH3SIGMAR1
SCHEMBL450172 0.85 HRH3 (0.57) LTA4HACHEHRH3SIGMAR1
SCHEMBL454069 0.85 LTA4H (0.55) LTA4HHRH3SLC6A2SLC6A4MCHR1
SCHEMBL451101 0.85 LTA4H (0.55) LTA4HHRH3SLC6A2SLC6A4MCHR1
SCHEMBL451789 0.85 NPC1 (0.59) LTA4HHRH3

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 LTA4H 424/4885ACHE 4249/4885MAOA 2130/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 LTA4H 462/4885ACHE 4142/4885MAOA 2174/4885

“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.