SCHEMBL4579020

SCHEMBL4579020

O=C(CN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 3/20 0.60
KDM4E B2RXH2 2/20 0.60
THRB P10828 1/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ATM Q13315 1/20 0.56
CCR3 P51677 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
GRIN2B Q13224 2/20 0.55
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2C Q14957 1/20 0.54

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
SCHEMBL4577175 0.89 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNAKDM4ETHRB
Hydrochloric Acid SCHEMBL4577907 0.88 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAKDM4ETHRB
SCHEMBL4414755 0.88 KDM4E (0.69) SMN1; SMN2ALDH1A1LMNAKDM4EHTT
SCHEMBL4577591 0.86 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1LMNAKDM4ETHRB
SCHEMBL4577637 0.86 CCR3 (0.69) SMN1; SMN2ALDH1A1LMNAKDM4ETHRB
SCHEMBL4578026 0.85 CCR3 (0.69) SMN1; SMN2ALDH1A1LMNAKDM4ETHRB
SCHEMBL4578105 0.85 LMNA (0.58) SMN1; SMN2ALDH1A1LMNAKDM4ETHRB
SCHEMBL4773468 0.84 KMT2A (0.56) SMN1; SMN2ALDH1A1LMNAKDM4ETHRB
Hydrochloric Acid SCHEMBL4578064 0.84 MEN1 (0.63) SMN1; SMN2ALDH1A1LMNAKDM4ETHRB
Hydrochloric Acid SCHEMBL4577189 0.81 MEN1 (0.57) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A

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 SMN1; SMN2 2793/4885ALDH1A1 1856/4885LMNA 4778/4885

“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.