SCHEMBL447985

SCHEMBL447985

CN(C)C(=O)[C@@H]1CCCN1Cc1ccc2cc(OCCCCCc3ccccc3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.47
CCR4 P51679 2/20 0.47
POLB P06746 2/20 0.45
LTA4H P09960 2/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FKBP1A P62942 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM2B Q8NHM5 2/20 0.41
S1PR1 P21453 2/20 0.41
CD274 Q9NZQ7 1/20 0.41
FFAR1 O14842 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
SPHK2 Q9NRA0 1/20 0.40
KCNH2 Q12809 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL451690 0.83 HRH3 (0.54) LTA4HHRH3
SCHEMBL449569 0.81 SPHK2 (0.61) SPHK1SPHK2MCHR1
SCHEMBL452456 0.81 SPHK2 (0.61) SPHK1SPHK2MCHR1
SCHEMBL451976 0.79 FAAH (0.48) SPHK1HRH3SPHK2
SCHEMBL451741 0.79 FAAH (0.48) SPHK1HRH3SPHK2
SCHEMBL449189 0.79 FFAR1 (0.51) LTA4HMEN1KMT2AFKBP1AS1PR1
SCHEMBL453568 0.78 SPHK1 (0.57) SPHK1SPHK2MCHR1
SCHEMBL451197 0.78 POLB (0.72) POLBMEN1KMT2A
SCHEMBL453900 0.77 SPHK2 (0.47) SPHK1LTA4HHRH3SPHK2KCNH2
SCHEMBL451855 0.76 CCR3 (0.48) LTA4HMEN1KMT2AMAOAMAOB

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 SPHK1 9/4885CCR4 212/4885POLB 4430/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 SPHK1 11/4885CCR4 205/4885POLB 4505/4885

“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.