SCHEMBL4577442

SCHEMBL4577442

CCOC(=O)C(C)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
OPRM1 P35372 3/20 0.58
KCNH2 Q12809 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GRIN1 Q05586 1/20 0.55
GRIN2B Q13224 1/20 0.55

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
SCHEMBL7248629 0.84 L3MBTL1 (0.62) L3MBTL1OPRM1KCNH2HRH3
SCHEMBL8817072 0.83 KCNH2 (0.61) OPRM1KCNH2HRH3GRIN1GRIN2B
Hydrochloric Acid SCHEMBL4577195 0.83 KCNH2 (0.65) OPRM1KCNH2HRH3GRIN1GRIN2B
SCHEMBL10735474 0.81 GRIN2B (0.73) OPRM1KCNH2HRH3GRIN1GRIN2B
SCHEMBL10734713 0.80 CYP2C9 (0.65) OPRM1KCNH2HRH3ALDH1A1GRIN1
SCHEMBL10733415 0.80 GRIN2B (0.71) KCNH2HRH3GRIN1GRIN2B
SCHEMBL28597356 0.79 GRIN1 (0.67) KCNH2HRH3GRIN1GRIN2B
SCHEMBL10735413 0.79 GRIN2B (0.63) OPRM1KCNH2HRH3GRIN1GRIN2B
SCHEMBL10729114 0.79 GRIN2B (0.69) OPRM1KCNH2HRH3GRIN1GRIN2B
SCHEMBL3313145 0.78 ALDH1A1 (0.57) ALDH1A1

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-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 US disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 US disclosed
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 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-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C L3MBTL1 4145/4885OPRM1 8/4885KCNH2 65/4885

“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.