SCHEMBL4594725

SCHEMBL4594725

CCOC(=O)c1c(-c2cccc(F)c2)noc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.47
JAK2 O60674 1/20 0.47
JAK3 P52333 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
HTT P42858 1/20 0.46
GABRA5 P31644 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
PTBP1 P26599 2/20 0.43
CYP3A4 P08684 1/20 0.43
CSNK1D P48730 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
CACNA1F O60840 1/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL1776068 0.86 GPBAR1 (0.59) GPBAR1JAK2JAK3TRPM8HTT
SCHEMBL4594883 0.83 GPBAR1 (0.47) GPBAR1GABRA5SMN1; SMN2ALDH1A1LMNA
SCHEMBL16448972 0.78 GHSR (0.58) ALDH1A1LMNAHPGDGAATDP1
SCHEMBL3978092 0.74 JAK2 (0.55) JAK2JAK3TRPM8HTTGABRA5
SCHEMBL13615450 0.74 TRPM8 (0.53) JAK2JAK3TRPM8HTTSMN1; SMN2
SCHEMBL13734171 0.73 GPBAR1 (0.58) GPBAR1HTTGABRA5SMN1; SMN2ALDH1A1
SCHEMBL210302 0.73 TRPM8 (0.55) JAK2JAK3TRPM8HTTALDH1A1
SCHEMBL2923341 0.73 SMN1; SMN2 (0.62) GPBAR1JAK2JAK3HTTSMN1; SMN2
SCHEMBL16877267 0.73 JAK2 (0.49) JAK2JAK3TRPM8SMN1; SMN2ALDH1A1
SCHEMBL23462015 0.73 BRD4 (0.50) TRPM8HTTSMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937674-A1 ISOXAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
US-7378435-B2 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-27 US disclosed
WO-2007042420-A1 ISOXAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082936-A1 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. 2007-04-12 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-20070082936-A1 Aryl-isoxazole-4-carbonyl-indole-carboxylic acid amide derivatives GABRA5, GABRA4, CHRNA5 GPBAR1 244/4885JAK2 1875/4885JAK3 2631/4885

“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.