SCHEMBL2400831

SCHEMBL2400831

Cc1ccc(F)c(C(=O)N2CCC3(CC=NO3)CC2)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.36
CCNB2 O95067 2/20 0.35
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
CCNB3 Q8WWL7 2/20 0.35
EGFR P00533 1/20 0.35
INSR P06213 1/20 0.35
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
FGFR2 P21802 1/20 0.35
CCND1 P24385 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK3 P27361 1/20 0.35
MAPK1 P28482 1/20 0.35
KDR P35968 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CCNA1 P78396 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL2404917 0.85 HPGD (0.58) HPGDHTTALDH1A1
SCHEMBL6410042 0.79 GPR119 (0.40) HPGDLMNACCNB2CDK1CCNB1
SCHEMBL6410909 0.77 HPGD (0.35) HPGDLMNACCNB2CDK1CCNB1
SCHEMBL15309141 0.75 L3MBTL1 (0.46) EPHX2SMN1; SMN2KDM4EALDH1A1
SCHEMBL2401240 0.74 HTR1A (0.51) HTR1A
SCHEMBL2400760 0.74 HPGD (0.46) HPGDKDM4EALDH1A1
SCHEMBL2403173 0.74 KDM4E (0.51) MAPK1SMN1; SMN2HTTKDM4ECNR1
SCHEMBL2401901 0.72 CYP3A4 (0.52) HPGDMAPK1SMN1; SMN2ALDH1A1
SCHEMBL2400039 0.72 HPGD (0.44) HPGDEPHX2ALDH1A1
SCHEMBL15309177 0.70 HPGD (0.53) HPGDLMNASMN1; SMN2

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 2 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 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 HPGD 443/4885LMNA 1973/4885CCNB2 1976/4885

“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.