SCHEMBL448655

SCHEMBL448655

CNC1CCN(Cc2ccc3cc(OCCCCCc4ccccc4)ccc3c2)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.48
UTS2R Q9UKP6 1/20 0.48
CCR3 P51677 4/20 0.47
HRH3 Q9Y5N1 2/20 0.47
MAOB P27338 3/20 0.46
LTA4H P09960 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL450211 0.88 LTA4H (0.60) MCHR1UTS2RCCR3LTA4HSIGMAR1
SCHEMBL447896 0.88 LTA4H (0.60) MCHR1UTS2RCCR3LTA4HSIGMAR1
SCHEMBL452074 0.88 LTA4H (0.60) MCHR1UTS2RCCR3LTA4HSIGMAR1
SCHEMBL454069 0.85 LTA4H (0.55) MCHR1HRH3LTA4HSLC6A2SLC6A4
SCHEMBL451972 0.85 LTA4H (0.56) HRH3MAOBLTA4HSLC6A2SLC6A4
SCHEMBL452921 0.85 LTA4H (0.56) HRH3MAOBLTA4HSLC6A2SLC6A4
SCHEMBL451101 0.85 LTA4H (0.55) MCHR1HRH3LTA4HSLC6A2SLC6A4
SCHEMBL450961 0.85 LTA4H (0.56) HRH3MAOBLTA4HSLC6A2SLC6A4
SCHEMBL448843 0.84 HRH3 (0.63) HRH3SLC6A2SLC6A4SIGMAR1
SCHEMBL454337 0.84 HRH3 (0.47) MCHR1UTS2RCCR3HRH3SLC6A2

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 MCHR1 335/4885UTS2R 497/4885CCR3 97/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 MCHR1 286/4885UTS2R 416/4885CCR3 111/4885

“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.