SCHEMBL2404917

SCHEMBL2404917

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.39
NPC1 O15118 1/20 0.36
TACR3 P29371 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ACACB O00763 1/20 0.33
HTT P42858 2/20 0.33
CPS1 P31327 1/20 0.33
P2RX7 Q99572 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL2400831 0.85 HPGD (0.39) HPGDALDH1A1HTT
SCHEMBL2400039 0.80 HPGD (0.44) HPGDUSP2NPC1ALDH1A1P2RX7
SCHEMBL2403173 0.80 KDM4E (0.51) NPC1HTTCPS1
SCHEMBL15309158 0.78 HPGD (0.54) HPGDL3MBTL1USP2NPC1TACR3
SCHEMBL15309141 0.76 L3MBTL1 (0.46) L3MBTL1ALDH1A1
SCHEMBL2404535 0.76 HTT (0.56) ALDH1A1ACACBHTTPKM
SCHEMBL15309143 0.74 RXFP1 (0.51) HPGDALDH1A1HTT
SCHEMBL13163144 0.74 HPGD (0.74) HPGDL3MBTL1USP2ALDH1A1HTT
SCHEMBL2401901 0.73 CYP3A4 (0.52) HPGDUSP2ALDH1A1
SCHEMBL2400760 0.73 HPGD (0.46) HPGDALDH1A1ACACB

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 443/4885L3MBTL1 4865/4885USP2 1957/4885

“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.