SCHEMBL4576836

SCHEMBL4576836

CC(C)(C)c1ccc(CC2CCN(C(=O)C(=O)O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR2B P41595 1/20 0.48
MAPK14 Q16539 1/20 0.48
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4577536 0.84 L3MBTL1 (0.73) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4576966 0.84 FAAH (0.61) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4576736 0.82 L3MBTL1 (0.69) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL28758293 0.81 MEN1 (0.65) CYP2C9CYP2C19HTR2BMAPK14ALDH1A1
SCHEMBL4578422 0.81 ALDH1A1 (0.57) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL136106 0.81 MEN1 (0.59) L3MBTL1CYP2C9CYP2C19MAPK14GRIN2D
SCHEMBL13165310 0.79 SIGMAR1 (0.48) KCNH2HRH3
SCHEMBL4244568 0.78 GAA (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20314564 0.77 SIGMAR1 (0.43) KCNH2HRH3
SCHEMBL4244566 0.76 ESRRG (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 US disclosed
EP-1409477-B1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2008-09-17 EP 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 4145/4885CYP2C9 1313/4885CYP2C19 2248/4885

“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.