SCHEMBL285773

SCHEMBL285773

CCCCc1noc(C)c1COc1cc(C(=O)NCCC)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
GABRA1 P14867 4/20 0.37
TAS2R8 Q9NYW2 1/20 0.36
GABRA5 P31644 9/20 0.36
AKR1C3 P42330 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 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
SCHEMBL286142 0.94 GABRA1 (0.43) GABRA1TAS2R8GABRA5AKR1C3
SCHEMBL285772 0.89 GABRA5 (0.42) GABRA1GABRA5
SCHEMBL286377 0.88 GABRA5 (0.39) TAS2R8GABRA5L3MBTL1
SCHEMBL286369 0.87 NR1H4 (0.40) GABRA1GABRA5L3MBTL1
SCHEMBL286209 0.85 GABRA5 (0.44) GABRA1GABRA5
SCHEMBL2098530 0.85 GABRA5 (0.52) GABRA1GABRA5
SCHEMBL286150 0.83 GABRA1 (0.48) GABRA1GABRA5
SCHEMBL2673317 0.83 POLB (0.52) POLBGABRA5AKR1C3L3MBTL1
SCHEMBL286143 0.81 ALDH1A1 (0.35) POLBGABRA1TAS2R8GABRA5L3MBTL1
SCHEMBL291638 0.81 GABRA5 (0.57) GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US claimed
EP-2427455-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-03-14 EP claimed
WO-2010127975-A1 ISOXAZOLE-PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 US claimed
US-8163728-B2 Pyrazoles HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-20100286115-A1 PYRAZOLES ROCHE PALO ALTO LLC 2010-11-11 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-20100286115-A1 PYRAZOLES GABRA5, GABRA1, GABRA3 POLB 3953/4885GABRA1 2/4885TAS2R8 1690/4885

“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.