SCHEMBL5044816

SCHEMBL5044816

Cc1cc(C)c(N2CCOCC2=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.43
PTGS2 P35354 2/20 0.40
CRHR1 P34998 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.37
CYP3A4 P08684 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL78092 0.88 F10 (0.45) F10PTGS2CYP3A4CYP1A2CYP2D6
SCHEMBL8306468 0.79 ALDH1A1 (0.49) F10PTGS2ALDH1A1NPSR1RAB9A
SCHEMBL14032569 0.74 LMNA (0.49) F10PTGS2ALDH1A1MAPTMAPK1
SCHEMBL92872 0.74 PTGS2 (0.64) F10PTGS2CYP3A4CYP1A2CYP2D6
SCHEMBL848455 0.73 F10 (0.44) F10PTGS2ALDH1A1CYP3A4TSHR
SCHEMBL22430538 0.73 HSD17B10 (0.53) ALDH1A1MAPTMAPK1TP53HTT
SCHEMBL10272402 0.72 ALDH1A1 (0.52) F10PTGS2ALDH1A1MAPTMAPK1
SCHEMBL23875831 0.72 PTGS2 (0.41) F10PTGS2CYP3A4HTTSMN1; SMN2
SCHEMBL22430526 0.71 HSD17B10 (0.47) ALDH1A1MAPTMAPK1TP53HTT
SCHEMBL77090 0.71 MAPT (0.47) F10PTGS2ALDH1A1MAPTSMN1; SMN2

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-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
EP-1718299-A1 HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-08 EP disclosed
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2005-09-08 US disclosed
WO-2005077363-A1 HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-25 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-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA2, GABRA1, GABRA5 F10 2432/4885PTGS2 350/4885CRHR1 71/4885

“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.