SCHEMBL2400895

SCHEMBL2400895

CC(C)CNC(=O)C1=NOC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
PRMT5 O14744 1/20 0.39
NAMPT P43490 1/20 0.39
KMT2A Q03164 1/20 0.39
FASN P49327 1/20 0.39
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 1/20 0.38
HSD11B1 P28845 3/20 0.38
EPHX2 P34913 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 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
SCHEMBL2402442 0.84 FASN (0.41) GPR119PRMT5FASNKDM4E
SCHEMBL6410357 0.83 POLB (0.43) POLBALDH1A1ALOX12SMN1; SMN2FASN
SCHEMBL2405152 0.81 HSD11B1 (0.46) POLBKMT2AHSD11B1EPHX2KDM4E
SCHEMBL2399133 0.79 AVPR1A (0.45) POLBALDH1A1KMT2A
SCHEMBL2399175 0.77 KMT2A (0.47) ALDH1A1KMT2AKDM4EGAA
SCHEMBL2400918 0.76 ALDH1A1 (0.43) ALDH1A1GPR119KMT2A
SCHEMBL2404743 0.74 PKM (0.42) POLBSMN1; SMN2GPR119KMT2A
SCHEMBL2403421 0.74 EPHX2 (0.46) KMT2ACYP3A4HSD11B1EPHX2GAA
SCHEMBL2404875 0.73 SMN1; SMN2 (0.49) POLBALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL2399342 0.73 CYP2D6 (0.52) POLBALDH1A1ALOX12SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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
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 (2 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 POLB 3316/4885ALDH1A1 412/4885ALOX12 1006/4885
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 POLB 1636/4885ALDH1A1 156/4885ALOX12 620/4885

“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.