SCHEMBL2582145

SCHEMBL2582145

O=C(COCc1ccccc1)N1CCc2oncc2C1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.50
NAMPT P43490 1/20 0.42
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GPR183 P32249 1/20 0.40

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
SCHEMBL2582670 0.84 KMT2A (0.55) NPC1KMT2AALDH1A1
SCHEMBL4261756 0.78 GRM5 (0.48) GRM5NPC1KMT2A
SCHEMBL2588611 0.77 SMN1; SMN2 (0.67) NAMPTNPC1KMT2AALDH1A1
SCHEMBL5529310 0.76 GRM5 (0.46) GRM5
SCHEMBL15492432 0.75 HPGDS (0.43) GRM5NAMPTNPC1KMT2AALDH1A1
SCHEMBL13194712 0.75 RYR2 (0.36) NPC1KMT2AALDH1A1
SCHEMBL20424296 0.74 MEN1 (0.35) NPC1KMT2AALDH1A1
SCHEMBL15490051 0.72 NAMPT (0.40) NAMPTNPC1KMT2AALDH1A1
SCHEMBL13315137 0.72 GRM5 (0.73) GRM5NPC1KMT2AALDH1A1
SCHEMBL17877276 0.71 BRD4 (0.71) GRM5NPC1

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-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
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 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 GRM5 130/4885NAMPT 911/4885NPC1 1245/4885

“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.