SCHEMBL4576850

SCHEMBL4576850

COc1ccc(NCC(=O)N2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
POLB P06746 2/20 0.61
CCR3 P51677 3/20 0.58
ALDH1A1 P00352 2/20 0.57
GRIN1 Q05586 1/20 0.55
GRIN2B Q13224 1/20 0.55
ACHE P22303 1/20 0.55
BACE1 P56817 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
SCHEMBL4577321 0.89 MEN1 (0.58) MEN1KMT2ASMN1; SMN2POLBCCR3
SCHEMBL4577310 0.88 FAAH (0.68) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL4579206 0.85 GRIN2D (0.68) MEN1KMT2ASMN1; SMN2ALDH1A1GRIN1
SCHEMBL13234951 0.85 SMN1; SMN2 (1.00) MEN1KMT2ASMN1; SMN2CCR3
SCHEMBL4591719 0.83 MEN1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4579179 0.83 SMN1; SMN2 (0.79) MEN1KMT2ASMN1; SMN2CCR3GRIN1
SCHEMBL7244230 0.81 MEN1 (0.69) MEN1KMT2ASMN1; SMN2ALDH1A1GRIN1
SCHEMBL5359069 0.79 CCR3 (0.62) MEN1KMT2ASMN1; SMN2POLBCCR3
SCHEMBL4958207 0.79 MEN1 (0.65) MEN1KMT2ASMN1; SMN2POLBCCR3
SCHEMBL4576852 0.78 SMN1; SMN2 (0.72) MEN1KMT2ASMN1; SMN2POLBCCR3

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 MEN1 2584/4885KMT2A 1234/4885SMN1; SMN2 2793/4885

“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.