SCHEMBL4577591

SCHEMBL4577591

COc1ccc(NC(=O)CN2CCC(Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
CHRNB2 P17787 2/20 0.64
CHRNB4 P30926 2/20 0.64
CHRNA3 P32297 2/20 0.64
CHRNA4 P43681 2/20 0.64
ALDH1A1 P00352 5/20 0.61
KDM4E B2RXH2 2/20 0.61
THRB P10828 1/20 0.60
POLB P06746 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
OPRM1 P35372 1/20 0.56
REV1 Q9UBZ9 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
CCR3 P51677 2/20 0.55
HTR2A P28223 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
SCHEMBL4576852 0.89 SMN1; SMN2 (0.72) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4577175 0.88 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL4579020 0.86 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL4577907 0.84 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL4578105 0.84 LMNA (0.58) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL4577502 0.83 KMT2A (0.63) SMN1; SMN2MEN1KMT2AOPRM1LMNA
SCHEMBL4577637 0.83 CCR3 (0.69) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL4578026 0.82 CCR3 (0.69) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL4773468 0.80 KMT2A (0.56) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
Hydrochloric Acid SCHEMBL4578064 0.80 MEN1 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E

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

“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.