SCHEMBL2401310

SCHEMBL2401310

O=C(NCCc1cccc(F)c1)C1=NOC2(CCN(S(=O)(=O)Cc3ccccc3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
NAMPT P43490 1/20 0.40
OPRM1 P35372 5/20 0.39
OPRD1 P41143 5/20 0.39
GRM4 Q14833 1/20 0.39
KMT2A Q03164 1/20 0.38
ABCB1 P08183 1/20 0.38
RAB9A P51151 1/20 0.37

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 0.91 CYP2C19 (0.43) ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL6410244 0.86 MAPK1 (0.44) MAPK1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL2400767 0.81 TSHR (0.44) ALDH1A1POLBKMT2ARAB9A
SCHEMBL6409697 0.79 TSHR (0.48) ALDH1A1LMNAOPRD1KMT2ARAB9A
SCHEMBL2400415 0.78 MEN1 (0.46) ALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL2401367 0.78 TSHR (0.46) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2402458 0.77 PKM (0.53) ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL2400977 0.77 ALDH1A1 (0.48) MAPK1ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL6412990 0.76 CYP2C19 (0.41) ALDH1A1SMN1; SMN2LMNAKMT2ARAB9A
SCHEMBL2402499 0.75 ALDH1A1 (0.55) MAPK1ALDH1A1SMN1; SMN2POLBNAMPT

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 MAPK1 4098/4885ALDH1A1 156/4885SMN1; SMN2 1407/4885

“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.