SCHEMBL13600600

SCHEMBL13600600

CC(C)(C)CCCN1CCNC(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 15/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
TRPV4 Q9HBA0 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL12348825 0.89 SMN1; SMN2 (0.41) THRBSMN1; SMN2TOP2ATOP2B
SCHEMBL13600572 0.87 LMNA (0.34) THRBSMN1; SMN2
SCHEMBL9029619 0.82 THRB (0.49) THRBSMN1; SMN2TOP2ATOP2B
Hydrochloric Acid SCHEMBL9029064 0.81 THRB (0.48) THRB
SCHEMBL974631 0.81 THRB (0.51) THRB
SCHEMBL4490796 0.80 SMN1; SMN2 (0.39) THRBSMN1; SMN2TOP2ATOP2BHRH3
SCHEMBL30902672 0.80 CXCR4 (0.50) THRBSMN1; SMN2HRH3
SCHEMBL30902677 0.80 CXCR4 (0.50) THRBSMN1; SMN2HRH3
SCHEMBL10200973 0.80 TOP2A (0.40) THRBSMN1; SMN2TOP2ATOP2B
SCHEMBL18634073 0.79 THRB (0.53) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580832-B2 Substituted phenoxy aminothiazolones as estrogen related receptor-α modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-11-12 US disclosed
US-7632833-B2 Anticancer agents MERCK & CO., INC. (US) 2009-12-15 US disclosed
US-20080287414-A1 Mitotic Kinesin Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-11 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-20080287414-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B THRB 4418/4885SMN1; SMN2 2150/4885TOP2A 126/4885
US-20080221179-A1 SUBSTITUTED PHENOXY AMINOTHIAZOLONES as estrogen related receptor-alpha modulators ESR2, ESRRA, ESRRG THRB 363/4885SMN1; SMN2 3140/4885TOP2A 1194/4885

“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.