SCHEMBL2583086

SCHEMBL2583086

O=C(NC1CCCC1)C1=NOC2(CCN(C(=O)c3cccnc3Cl)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
EPHX2 P34913 2/20 0.41
ACKR3 P25106 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
HSD11B1 P28845 1/20 0.37
PDE4B Q07343 1/20 0.37
GRM5 P41594 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
SCHEMBL6416605 0.85 POLB (0.43) CYP2C19MEN1KMT2ACYP1A2CYP3A4
SCHEMBL2401286 0.84 CNR2 (0.44) CYP2C19MEN1KMT2ACYP1A2CYP3A4
SCHEMBL6848466 0.84 KDM4E (0.41) CYP2C19MEN1KMT2ACYP1A2CYP3A4
SCHEMBL15309126 0.83 POLB (0.53) CYP2C19KMT2ACYP3A4CYP2C9POLB
SCHEMBL2581339 0.78 ALDH1A1 (0.44) MEN1KMT2APOLBALDH1A1EPHX2
SCHEMBL5115830 0.75 KDM4E (0.46) CYP2C19MEN1KMT2ACYP1A2CYP3A4
SCHEMBL2399960 0.75 ALDH1A1 (0.41) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL3165964 0.72 ALDH1A1 (0.68) CYP2C19MEN1KMT2ACYP1A2CYP3A4
SCHEMBL23573213 0.72 CYP2C19 (0.61) CYP2C19MEN1KMT2APOLBALDH1A1
SCHEMBL1456887 0.71 TRPA1 (0.41) CYP2C19MEN1KMT2ACYP1A2CYP3A4

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-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 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 CYP2C19 81/4885MEN1 2802/4885KMT2A 3833/4885

“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.