SCHEMBL3136328

SCHEMBL3136328

O=CCC(CC=O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
SLC6A3 Q01959 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL29120227 0.88 GABBR2 (0.39) GABBR2GABBR1IDO1TDO2HDAC3
SCHEMBL2088573 0.86 CYP19A1 (0.40) GABBR2GABBR1IDO1SLC6A3HTT
SCHEMBL12562571 0.85 GABBR2 (0.40) GABBR2GABBR1HDAC3HDAC4HDAC1
SCHEMBL27509080 0.83 FFAR1 (0.44) GABBR2GABBR1HDAC3HDAC4HDAC1
SCHEMBL10019607 0.83 SLC6A2 (0.38) GABBR2GABBR1HDAC3HDAC4HDAC1
SCHEMBL65457 0.82 CACNA2D1 (0.37) GABBR2GABBR1IDO1TDO2HDAC3
SCHEMBL21197684 0.82 SERPINH1 (0.44) GABBR2GABBR1
SCHEMBL21198531 0.82 SERPINH1 (0.44) GABBR2GABBR1
SCHEMBL21197683 0.82 SERPINH1 (0.44) GABBR2GABBR1
SCHEMBL27629443 0.80 IDO1 (0.35) GABBR2GABBR1IDO1TDO2HDAC3

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-8283358-B2 N-sulfonamido polycyclic pyrazolyl compounds ELAN PHARMACEUTICALS, INC. (US) 2012-10-09 US disclosed
US-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS ELAN PHARMACEUTICALS, INC. 2010-04-01 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-20100081680-A1 N-SULFONAMIDO POLYCYCLIC PYRAZOLYL COMPOUNDS PSEN1, PSEN2, SULT1E1 GABBR2 3292/4885GABBR1 3478/4885IDO1 1839/4885

“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.