SCHEMBL542452

SCHEMBL542452

CCC1(C)C(=O)NC(=O)N1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MGAT2 Q10469 1/20 0.33
ATM Q13315 1/20 0.31

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
SCHEMBL1362238 0.79
SCHEMBL11410484 0.74 LMNA (0.34) LMNATSHRNPSR1SMN1; SMN2CYP2C19
SCHEMBL5062854 0.74 LMNA (0.34) LMNATSHRNPSR1SMN1; SMN2CYP2C19
SCHEMBL632188 0.74 LMNA (0.34) LMNATSHRNPSR1SMN1; SMN2CYP2C19
SCHEMBL16502345 0.74
SCHEMBL2981814 0.73 LMNA (0.33) LMNATSHRNPSR1SMN1; SMN2ATM
SCHEMBL9190795 0.71 TSHR (0.32) LMNATSHRNPSR1CYP2C19KDM4E
SCHEMBL15989261 0.70 HSD11B1 (0.34)
SCHEMBL6579528 0.69 ATAD2 (0.33)
SCHEMBL162703 0.69 ATAD2 (0.33)

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-9085561-B2 Cyclic urea- or lactam-substituted quinoxaline-type piperidines as ORL-1 modulators PURDUE PHARMA L.P. (US) 2015-07-21 US disclosed
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 EP 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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 LMNA 1674/4885TSHR 2854/4885NPSR1 1131/4885

“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.