SCHEMBL2400875

SCHEMBL2400875

COc1cccc(C(C(N)=O)C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
TRPM8 Q7Z2W7 2/20 0.53
PARP1 P09874 1/20 0.53
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
AOC3 Q16853 2/20 0.49
PTGS1 P23219 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL9765684 0.91 L3MBTL1 (0.55) L3MBTL1PARP1MTNR1AMTNR1BAOC3
SCHEMBL7743641 0.87 MTNR1A (0.52) L3MBTL1MTNR1AMTNR1BAOC3PTGS1
SCHEMBL11215919 0.85 PTGS1 (0.50) L3MBTL1TRPM8PTGS1
SCHEMBL8534165 0.85 L3MBTL1 (0.50) L3MBTL1PARP1MTNR1AMTNR1BAOC3
SCHEMBL18978189 0.85 L3MBTL1 (0.50) L3MBTL1PARP1MTNR1AMTNR1BAOC3
SCHEMBL18978188 0.83 L3MBTL1 (0.48) L3MBTL1MTNR1AMTNR1BAOC3PTGS1
SCHEMBL10382783 0.83 L3MBTL1 (0.48) L3MBTL1MTNR1AMTNR1BAOC3PTGS1
SCHEMBL25226434 0.81 L3MBTL1 (0.65) L3MBTL1TRPM8PARP1AOC3PTGS1
SCHEMBL11483148 0.81 L3MBTL1 (0.65) L3MBTL1TRPM8PARP1AOC3PTGS1
SCHEMBL9457197 0.81 L3MBTL1 (0.56) L3MBTL1TRPM8PARP1MTNR1AMTNR1B

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 L3MBTL1 4865/4885TRPM8 4228/4885PARP1 1437/4885

“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.