SCHEMBL5368030

SCHEMBL5368030

Cc1cc(C)cc(C2(O)CCN(C(=O)O)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.41
OPRM1 P35372 5/20 0.41
OPRK1 P41145 5/20 0.41
OPRL1 P41146 5/20 0.41
OPRD1 P41143 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5378448 0.89 S1PR2 (0.39) CYP46A1OPRM1OPRK1OPRL1OPRD1
SCHEMBL5373048 0.84 OPRM1 (0.60) CYP46A1OPRM1OPRK1OPRL1OPRD1
SCHEMBL5371705 0.83 OPRM1 (0.55) CYP46A1OPRM1OPRK1OPRL1OPRD1
SCHEMBL25411943 0.82 CCR2 (0.35) CYP46A1OPRM1OPRK1OPRL1OPRD1
SCHEMBL3387449 0.79 S1PR2 (0.43) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL5376169 0.79 POLB (0.46) CYP46A1OPRM1OPRK1OPRL1OPRD1
SCHEMBL1581749 0.79 OPRM1 (0.51) CYP46A1OPRM1OPRK1OPRL1OPRD1
SCHEMBL5375986 0.78 CCR1 (0.42) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL28893203 0.77 OPRM1 (0.46) OPRM1OPRK1OPRL1OPRD1ALDH1A1
SCHEMBL795975 0.77 ALDH1A1 (0.56) OPRM1OPRK1OPRL1OPRD1ALDH1A1

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
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP claimed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US claimed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP claimed
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 CYP46A1 632/4885OPRM1 3770/4885OPRK1 3177/4885

“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.