SCHEMBL3577018

SCHEMBL3577018

CCOC(=O)CN1CCCC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
LMNA P02545 3/20 0.40
ELANE P08246 1/20 0.40
ALDH1A1 P00352 4/20 0.39
GSK3B P49841 3/20 0.39
GSK3A P49840 2/20 0.39
PRKCA P17252 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TRPA1 O75762 1/20 0.35

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
SCHEMBL4088584 0.95 KDM4E (0.43) KDM4ELMNAELANEALDH1A1GSK3B
SCHEMBL10503947 0.79 KDM4E (0.42) KDM4ELMNAELANEALDH1A1GSK3B
SCHEMBL21865016 0.76 BDKRB2 (0.34) TSHR
SCHEMBL15615923 0.76 LMNA (0.45) LMNAELANEALDH1A1GSK3BGSK3A
SCHEMBL24577996 0.74 TSHR (0.36) KDM4EALDH1A1L3MBTL1TSHR
SCHEMBL11116362 0.74 LMNA (0.46) KDM4ELMNAELANEALDH1A1GSK3B
SCHEMBL7435072 0.73 TSHR (0.39) KDM4EALDH1A1GSK3BGAAL3MBTL1
SCHEMBL689078 0.72 LMNA (0.45) KDM4ELMNAELANEALDH1A1GSK3B
SCHEMBL25039502 0.71 ELANE (0.42) KDM4EELANEALDH1A1GSK3BGSK3A
SCHEMBL6092292 0.71 CYP2C19 (0.36) LMNAALDH1A1KMT2AL3MBTL1TSHR

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-7700634-B2 (Indol-3-yl) heterocycle derivatives as agonists of the cannabinoid CB1 receptor N.V. ORGANON (NL) 2010-04-20 US disclosed
EP-1725232-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR ORGANON NV (NL) 2008-01-23 EP disclosed
US-20070142446-A1 (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor MERCK SHARP & DOHME B.V. (NL) 2007-06-21 US disclosed
EP-1725232-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR N.V. Organon (NL) 2006-11-29 EP disclosed
WO-2005089754-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR AKZO NOBEL N.V. (NL) 2005-09-29 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-20070142446-A1 (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor CNR1, CNR2, OPRL1 KDM4E 2175/4885LMNA 3463/4885ELANE 3621/4885

“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.