SCHEMBL6409831

SCHEMBL6409831

O=C(O)C1=NOC2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.50
ALOX15 P16050 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.48
CNR1 P21554 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL6410300 0.86 SMN1; SMN2 (0.62) ATMALDH1A1TSHRL3MBTL1MAPT
SCHEMBL6409583 0.86 MAPK1 (0.46) ALDH1A1L3MBTL1KMT2ASMN1; SMN2HTT
SCHEMBL6417412 0.85 ATM (0.51) ATMALDH1A1TSHRALOX15L3MBTL1
SCHEMBL15309170 0.84 KMT2A (0.56) ALDH1A1L3MBTL1MAPTKMT2AKDM4E
SCHEMBL2401137 0.83 TRPV4 (0.49) ATMALDH1A1MAPTCNR1TDP1
SCHEMBL2404636 0.83 ATM (0.43) ATMALDH1A1TSHRALOX15L3MBTL1
SCHEMBL6410502 0.82 MEN1 (0.52) ALDH1A1TSHRL3MBTL1MAPTUSP2
SCHEMBL2404639 0.81 OPRM1 (0.47) ATMALDH1A1TSHRALOX15L3MBTL1
SCHEMBL2402632 0.80 ALDH1A1 (0.62) ALDH1A1TSHRALOX15L3MBTL1USP2
SCHEMBL6410614 0.80 LMNA (0.46) ALDH1A1TSHRL3MBTL1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 US claimed
US-8557796-B2 Substituted 1-oxa-2,8-diaza-spiro [4,5] dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2013-10-15 US disclosed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed
US-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods GRUENENTHAL GMBH (DE) 2004-09-30 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-20040192916-A1 Substituted 1-oxa-2,8-diaza-spiro[4,5]dec-2-ene derivatives and related treatment methods SULT1E1, CYP4B1, CYP3A4 ATM 4126/4885ALDH1A1 412/4885TSHR 2319/4885

“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.