SCHEMBL6409697

SCHEMBL6409697

O=C(O)C1=NOC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 1/20 0.46
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
OPRD1 P41143 1/20 0.41
NEK2 P51955 1/20 0.41

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
SCHEMBL2403146 0.85 CYP2C19 (0.43) TSHRHPGDGAACYP2C19KMT2A
SCHEMBL6409700 0.83 TSHR (0.47) TSHRHPGDGAACYP2C19KMT2A
SCHEMBL2402632 0.81 ALDH1A1 (0.62) TSHRHPGDCYP2C19KMT2AALDH1A1
SCHEMBL2403707 0.81 SIGMAR1 (0.46) TSHRGAACYP2C19KMT2ARAB9A
SCHEMBL2400767 0.80 TSHR (0.44) TSHRHPGDGAACYP2C19KMT2A
SCHEMBL2402454 0.80 ALDH1A1 (0.48) TSHRHPGDGAACYP2C19ALDH1A1
SCHEMBL2400740 0.80 MAPT (0.41) TSHRHPGDGAACYP2C19KMT2A
SCHEMBL2401405 0.80 TSHR (0.46) TSHRGAACYP2C19KMT2ARAB9A
SCHEMBL2581179 0.80 RECQL (0.49) TSHRGAACYP2C19KMT2ARAB9A
SCHEMBL6409739 0.80 TSHR (0.41) TSHRHPGDGAACYP2C19KMT2A

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 TSHR 2319/4885HPGD 679/4885GAA 2363/4885

“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.