SCHEMBL516555

SCHEMBL516555

COc1cccc(C(N)C2(C(N)=O)CCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 1/20 0.44
PARP1 P09874 1/20 0.44
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 1/20 0.43
AOC3 Q16853 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL516184 0.83 L3MBTL1 (0.47) L3MBTL1SLC6A2SLC6A4AOC3MTNR1A
SCHEMBL6925029 0.83 L3MBTL1 (0.52) L3MBTL1POLBPARP1SLC6A2SLC6A4
SCHEMBL6458517 0.83 L3MBTL1 (0.52) L3MBTL1POLBPARP1SLC6A2SLC6A4
SCHEMBL6457801 0.83 L3MBTL1 (0.52) L3MBTL1POLBPARP1SLC6A2SLC6A4
SCHEMBL516116 0.79 PARP1 (0.40) PARP1SLC6A2SLC6A4TRPM8
SCHEMBL516716 0.78 LMNA (0.37)
SCHEMBL30816983 0.75 L3MBTL1 (0.50) L3MBTL1POLBPARP1SLC6A2SLC6A4
SCHEMBL6390839 0.73 L3MBTL1 (0.60) L3MBTL1POLBPARP1AOC3TRPM8
SCHEMBL10002406 0.71 LMNA (0.58) L3MBTL1PARP1SLC6A4CES2CES1
SCHEMBL516756 0.71 SLC6A3 (0.39) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455550-B2 Derivatives of aminocyclobutane or aminocyclobutene, their method of preparation and their use as medical products PIERRE FABRE MEDICAMENT (FR) 2013-06-04 US disclosed
EP-2414323-B1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PF MEDICAMENT (FR) 2013-03-13 EP disclosed
EP-2414323-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS Pierre Fabre Médicament (FR) 2012-02-08 EP disclosed
US-20120029013-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PIERRE FABRE MEDICAMENT (FR) 2012-02-02 US disclosed
WO-2010112597-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS PIERRE FABRE MEDICAMENT (FR) 2010-10-07 WO 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-20120029013-A1 DERIVATIVES OF AMINOCYCLOBUTANE OR AMINOCYCLOBUTENE, THEIR METHOD OF PREPARATION AND THEIR USE AS MEDICAL PRODUCTS CYP11B2, BCAT1, CYP11B1 L3MBTL1 4386/4885POLB 1829/4885PARP1 3197/4885

“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.