SCHEMBL4274149

SCHEMBL4274149

O=C(O)c1noc2c1CN(C(=O)c1ccco1)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.48
TSHR P16473 3/20 0.47
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MDM2 Q00987 1/20 0.46
TP53 P04637 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP1A2 P05177 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSP90AA1 P07900 2/20 0.43
CYP3A4 P08684 2/20 0.43
CHRM2 P08172 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL15300410 0.83 ALDH1A1 (0.47) ALDH1A1TSHRMAPTPOLBNPC1
SCHEMBL2585124 0.79 LMNA (0.60) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL3099503 0.78 LMNA (0.53) ALDH1A1NPC1RAB9AHTTLMNA
SCHEMBL4261756 0.75 GRM5 (0.48) NPC1RAB9ALMNAHSP90AA1KMT2A
SCHEMBL4259746 0.74 LMNA (0.50) ALDH1A1TSHRMAPTPOLBNPC1
SCHEMBL2580863 0.74 ALDH1A1 (0.55) ALDH1A1TSHRMAPTPOLBNPC1
SCHEMBL4267221 0.74 HPGD (0.55) MAPTNPC1RAB9ALMNAHSP90AA1
SCHEMBL4263747 0.74 HSP90AA1 (0.52) MAPTNPC1RAB9ATP53HSP90AA1
SCHEMBL4265115 0.73 NPC1 (0.47) ALDH1A1TSHRMAPTPOLBNPC1
SCHEMBL4264840 0.73 RAB9A (0.49) MAPTPOLBNPC1RAB9AHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP claimed
US-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments GRUENENTHAL GMBH (DE) 2009-03-19 US claimed
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP 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-20090076001-A1 Substituted 4,5,6,7 -Tetrahydro-Isoxazolo[4,5-C]Pyridine Compounds and Use Thereof for Producing Medicaments P2RX5, P2RX4, P2RX7 ALDH1A1 1107/4885TSHR 3849/4885MAPT 3693/4885

“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.