SCHEMBL4578422

SCHEMBL4578422

O=C(O)C(=O)N1CCC(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTR2B P41595 1/20 0.55
MAPK14 Q16539 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
FAAH O00519 1/20 0.51
SPR P35270 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.51
CCR3 P51677 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50

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
SCHEMBL4959434 0.89 ALDH1A1 (0.59) ALDH1A1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4576736 0.85 L3MBTL1 (0.69) ALDH1A1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL136106 0.84 MEN1 (0.59) ALDH1A1CYP2C9CYP2C19MAPK14L3MBTL1
SCHEMBL4576966 0.84 FAAH (0.61) CYP2C9CYP2C19HTR2BMAPK14L3MBTL1
SCHEMBL27924584 0.84 ALDH1A1 (0.54) ALDH1A1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL2930984 0.83 TACR3 (0.57) ALDH1A1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4577206 0.83 CCR3 (0.56) ALDH1A1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4577488 0.82 L3MBTL1 (0.77) ALDH1A1L3MBTL1FAAHADAMTS5CCR3
SCHEMBL4576836 0.81 L3MBTL1 (0.53) ALDH1A1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL17730097 0.80 HTT (0.69) CYP2C9CYP2C19HTR2BMAPK14SPR

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 7 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
CN-100413860-C piperidine derivatives as NMDA receptor antagonists HUNGARY GIREL GYOGYSZERGYAR (HU) 2008-08-27 CN disclosed
CN-1556805-A piperidine derivatives as NMDA receptor antagonists ������ҩ�����޹�˾ 2004-12-22 CN 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 ALDH1A1 1856/4885CYP2C9 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.