SCHEMBL15037487

SCHEMBL15037487

CN1CC(C)(c2ccccc2)CC(C)(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
ALDH1A1 P00352 5/20 0.38
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
OPRM1 P35372 2/20 0.36
DRD4 P21917 1/20 0.36
BACE1 P56817 2/20 0.36
REN P00797 1/20 0.36
APP P05067 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
PLA2G7 Q13093 1/20 0.36
GRIN2B Q13224 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
PAX8 Q06710 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL7896439 0.76 MMP1 (0.36) GRIN1GRIN2AALDH1A1SMN1; SMN2OPRM1
SCHEMBL3020089 0.75 L3MBTL1 (0.40) GRIN1GRIN2AALDH1A1GAASMN1; SMN2
SCHEMBL15037437 0.72 ALDH1A1 (0.50) GRIN1GRIN2AALDH1A1GAAOPRM1
SCHEMBL15037440 0.72 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2BACE1LMNA
SCHEMBL13148284 0.71 RAB9A (0.37) SMN1; SMN2RAB9ALMNA
SCHEMBL15037439 0.69 ALDH1A1 (0.37) ALDH1A1GAASMN1; SMN2SIGMAR1LMNA
SCHEMBL19931803 0.69 OPRM1 (0.50) ALDH1A1GAASMN1; SMN2OPRM1DRD4
SCHEMBL13006991 0.68
SCHEMBL6439973 0.68 OPRL1 (0.44) ALDH1A1GAASMN1; SMN2OPRM1LMNA
SCHEMBL6439975 0.68 OPRL1 (0.44) ALDH1A1GAASMN1; SMN2OPRM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 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-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C GRIN1 1/4885GRIN2A 2/4885ALDH1A1 55/4885

“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.