SCHEMBL2276508

SCHEMBL2276508

Cc1c(F)cccc1C1(O)CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
HDAC4 P56524 14/20 0.47
HDAC9 Q9UKV0 1/20 0.40
DRD2 P14416 1/20 0.39
OPRM1 P35372 2/20 0.37
HTR2C P28335 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37

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
SCHEMBL2267707 0.83 SIGMAR1 (0.54) SIGMAR1DRD2OPRM1HTR2COPRD1
SCHEMBL15076841 0.83 SIGMAR1 (0.50) SIGMAR1HDAC4DRD2OPRM1HTR2C
SCHEMBL615903 0.82 SIGMAR1 (0.57) SIGMAR1HDAC4DRD2OPRM1HTR2C
SCHEMBL2267923 0.80 SIGMAR1 (0.51) SIGMAR1HDAC4DRD2OPRM1HTR2C
SCHEMBL2271814 0.80 SIGMAR1 (0.48) SIGMAR1HDAC4DRD2OPRM1HTR2C
Ethyne SCHEMBL27599449 0.79 SIGMAR1 (0.54) SIGMAR1HDAC4DRD2OPRM1HTR2C
SCHEMBL741489 0.79 HDAC4 (0.46) HDAC4HDAC9
SCHEMBL1513456 0.78 DRD2 (0.46) SIGMAR1HDAC4DRD2OPRM1HTR2C
SCHEMBL1513380 0.78 HDAC4 (0.44) SIGMAR1HDAC4DRD2OPRM1HTR2C
SCHEMBL2270935 0.75 SIGMAR1 (0.62) SIGMAR1HDAC4DRD2OPRM1HTR2C

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 8 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 disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US 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 SIGMAR1 3731/4885HDAC4 218/4885HDAC9 75/4885

“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.