SCHEMBL2582208

SCHEMBL2582208

CC(C)CNC(=O)c1noc2c1CN(C(=O)c1cc(C(F)(F)F)ccc1Cl)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.56
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
DGAT2 Q96PD7 1/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 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
SCHEMBL15300346 0.88 HSP90AA1 (0.42) HSP90AA1MAPTKMT2AHDAC3HDAC4
SCHEMBL4267286 0.84 HSP90AA1 (0.48) HSP90AA1MAPTKMT2ANPC1RAB9A
SCHEMBL3099503 0.67 LMNA (0.53) HSP90AA1KMT2AHTTNPC1ALDH1A1
SCHEMBL2589376 0.67 HSP90AA1 (0.48) HSP90AA1KMT2AHDAC3HDAC4HDAC1
SCHEMBL22615687 0.66 HRH4 (0.46) HSP90AA1MAPTHDAC3HDAC4HDAC1
SCHEMBL22615689 0.66 HRH4 (0.46) HSP90AA1MAPTHDAC3HDAC4HDAC1
SCHEMBL2586734 0.66 HSP90AA1 (0.55) HSP90AA1KMT2AHDAC3HDAC4HDAC1
SCHEMBL2584766 0.65 KMT2A (0.44) HSP90AA1KMT2AMEN1NPC1ALDH1A1
SCHEMBL22621819 0.65 HSP90AA1 (0.44) HSP90AA1MAPTHDAC3HDAC4HDAC1
SCHEMBL22624711 0.65 MAPT (0.45) HSP90AA1MAPTKMT2AMEN1SMN1; SMN2

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 5 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-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 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
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 HSP90AA1 3575/4885MAPT 3693/4885KMT2A 4073/4885

“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.