SCHEMBL4577321

SCHEMBL4577321

COc1ccc(NCC(=O)N2CCC(Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 2/20 0.56
CCR3 P51677 6/20 0.54
OPRM1 P35372 1/20 0.52
GLA P06280 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR2A P28223 1/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL4576850 0.89 MEN1 (0.73) MEN1KMT2ASMN1; SMN2POLBCCR3
SCHEMBL4579363 0.86 GRIN2B (0.53) MEN1KMT2APOLBCCR3
SCHEMBL4577502 0.83 KMT2A (0.63) MEN1KMT2ASMN1; SMN2CCR3OPRM1
SCHEMBL4591294 0.83 GRIN1 (0.51) MEN1KMT2APOLBCCR3
SCHEMBL4578958 0.82 CCR3 (0.59) MEN1KMT2APOLBCCR3HTR2A
SCHEMBL14247372 0.81 L3MBTL1 (0.69) MEN1KMT2ASMN1; SMN2MAPK1L3MBTL1
SCHEMBL4577591 0.79 SMN1; SMN2 (0.66) MEN1KMT2ASMN1; SMN2POLBCCR3
SCHEMBL27590237 0.78 GRIN1 (0.52) MEN1KMT2APOLBCCR3
SCHEMBL4775057 0.78 SMN1; SMN2 (0.63) MEN1KMT2ASMN1; SMN2POLBCCR3
SCHEMBL4958207 0.77 MEN1 (0.65) 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 2 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

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.