SCHEMBL451232

SCHEMBL451232

CC(C)(C)C(CC#N)OC(=O)NCc1ccc2cc(OCCCc3ccccc3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
FFAR1 O14842 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL451233 0.82 MTNR1A (0.42) MTNR1AMTNR1BFFAR1PPARGPPARA
SCHEMBL14064862 0.81 MCL1 (0.48) CTSBCTSSCTSK
SCHEMBL4965618 0.77 FFAR1 (0.55) MTNR1AMTNR1BFFAR1PPARG
SCHEMBL448872 0.71 PPARG (0.55) PPARG
SCHEMBL947200 0.70 FFAR1 (0.59) MTNR1AMTNR1BFFAR1PPARG
SCHEMBL948541 0.69 S1PR1 (0.48) MTNR1AMTNR1BFFAR1PPARGPPARA
SCHEMBL949121 0.69 L3MBTL1 (0.50) MTNR1AMTNR1BFFAR1PPARG
SCHEMBL947719 0.69 S1PR1 (0.70) FFAR1PPARG
SCHEMBL451234 0.69 CA12 (0.46) MTNR1AMTNR1BCTSBCTSSCTSK
Hydrochloric Acid SCHEMBL3541048 0.68 S1PR1 (0.68) FFAR1PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MTNR1A 219/4885MTNR1B 311/4885CTSB 3971/4885

“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.