SCHEMBL13282000

SCHEMBL13282000

CCOC(=O)C1(CCCCOC)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.44
OPRM1 P35372 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
LMNA P02545 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
OPRD1 P41143 1/20 0.36

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
SCHEMBL744367 0.95 MAPK1 (0.45) MAPK1ALDH1A1OPRM1KDM4EMEN1
SCHEMBL743660 0.89 MAPK1 (0.53) MAPK1ALDH1A1OPRM1KDM4EMEN1
SCHEMBL25143741 0.85 CYP4F2 (0.50) MAPK1ALDH1A1OPRM1KDM4EMEN1
SCHEMBL2025300 0.84 OPRM1 (0.47) MAPK1ALDH1A1OPRM1MEN1KMT2A
SCHEMBL10285599 0.83 OPRM1 (0.46) MAPK1ALDH1A1OPRM1MEN1KMT2A
SCHEMBL28089803 0.81 ALDH1A1 (0.39) ALDH1A1CYP4F2CYP4A11
SCHEMBL13269452 0.81 OPRM1 (0.49) MAPK1OPRM1KDM4EMEN1KMT2A
SCHEMBL8404829 0.80 ALDH1A1 (0.46) MAPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13269316 0.80 OPRM1 (0.48) MAPK1ALDH1A1OPRM1KDM4EMEN1
SCHEMBL13268937 0.79 OPRM1 (0.43) MAPK1ALDH1A1OPRM1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266867-B2 Piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2016-02-23 US disclosed
EP-2697219-B1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2015-03-04 EP disclosed
EP-2697219-B1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2015-03-04 EP disclosed
US-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2014-04-10 US disclosed
EP-2697219-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS Bioprojet (FR) 2014-02-19 EP disclosed
WO-2012140020-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2012-10-18 WO disclosed
WO-2012140020-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2012-10-18 WO 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-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 MAPK1 1217/4885ALDH1A1 2152/4885OPRM1 588/4885

“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.