SCHEMBL4577386

SCHEMBL4577386

O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
KDM4E B2RXH2 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
HTT P42858 2/20 0.64
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.58
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CCR3 P51677 1/20 0.56

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
SCHEMBL4578026 0.89 CCR3 (0.69) LMNAKDM4EL3MBTL1HTTALDH1A1
SCHEMBL4577546 0.88 ALDH1A1 (0.72) LMNAKDM4EL3MBTL1ALDH1A1POLB
SCHEMBL28599359 0.87 KDM4E (0.71) LMNAKDM4EL3MBTL1HTTALDH1A1
SCHEMBL4414755 0.85 KDM4E (0.69) LMNAKDM4EL3MBTL1HTTALDH1A1
SCHEMBL7249256 0.84 FAAH (0.75) LMNAHTTMAPTMAPK1SMN1; SMN2
SCHEMBL3223889 0.84 LMNA (0.70) LMNAL3MBTL1HTTALDH1A1MAPT
SCHEMBL4578765 0.84 MEN1 (0.70) LMNAKDM4EL3MBTL1HTTALDH1A1
SCHEMBL4577307 0.83 KDM4E (0.67) LMNAKDM4EL3MBTL1HTTALDH1A1
Hydrochloric Acid SCHEMBL4577724 0.83 KDM4E (0.67) LMNAKDM4EL3MBTL1HTTALDH1A1
SCHEMBL4577563 0.82 GRIN2D (0.73) LMNAHTTMAPTMAPK1SMN1; SMN2

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 6 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
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 LMNA 4778/4885KDM4E 1161/4885L3MBTL1 4145/4885

“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.