SCHEMBL2400838

SCHEMBL2400838

CN1CCCC1CCNC(=O)C1=NOC2(CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.40
CHRM4 P08173 1/20 0.40
ACKR3 P25106 2/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.39
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
LCK P06239 1/20 0.38
APP P05067 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36

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
SCHEMBL6410198 0.88 HTR6 (0.41) HTR6L3MBTL1TSHRPKMCHRM4
SCHEMBL2399881 0.77 LMNA (0.44) L3MBTL1TSHRPKMLMNATDP1
SCHEMBL6410614 0.77 LMNA (0.46) L3MBTL1TSHRLMNATDP1EPHX2
SCHEMBL2400651 0.75 EPHX2 (0.45) L3MBTL1TSHRPKMCHRM4LMNA
SCHEMBL2404702 0.75 EPHX2 (0.41) L3MBTL1PKMLMNATDP1EPHX2
SCHEMBL2400618 0.75 SMN1; SMN2 (0.45) TSHRLMNATDP1ALDH1A1
SCHEMBL2579299 0.74 LMNA (0.52) TSHRPKMLMNAALDH1A1
SCHEMBL2404676 0.74 ALDH1A1 (0.45) L3MBTL1PKMLMNATDP1EPHX2
SCHEMBL2400837 0.74 LMNA (0.43) L3MBTL1TSHRPKMLMNATDP1
SCHEMBL2400337 0.72 LMNA (0.45) L3MBTL1TSHRLMNATDP1

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
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 US claimed
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 HTR6 1416/4885L3MBTL1 4865/4885TSHR 1894/4885

“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.