SCHEMBL2400878

SCHEMBL2400878

O=C(NCCCn1ccnc1)C1=NOC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
ATM Q13315 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.46
IDE P14735 1/20 0.45
ADORA2A P29274 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL6410674 0.86 KMT2A (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2400977 0.81 ALDH1A1 (0.48) KMT2AMEN1L3MBTL1LMNASMN1; SMN2
SCHEMBL2401315 0.76 NAMPT (0.52) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL6409630 0.75 ALDH1A1 (0.48) KMT2AMEN1L3MBTL1LMNASMN1; SMN2
SCHEMBL2401326 0.75 ALDH1A1 (0.41) KMT2AMEN1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL2401367 0.74 TSHR (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL2402458 0.74 PKM (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL2400879 0.72 POLB (0.48) CYP2C19KMT2AMEN1LMNAALDH1A1
SCHEMBL2580957 0.71 ALDH1A1 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL2400732 0.70 MEN1 (0.45) KMT2AMEN1SMN1; SMN2ALDH1A1HTT

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 CYP1A2 25/4885CYP3A4 24/4885CYP2D6 27/4885

“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.