SCHEMBL2276233

SCHEMBL2276233

OC1(c2ccc(F)cc2C(F)(F)F)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
SLC6A2 P23975 11/20 0.40
SLC6A4 P31645 11/20 0.40
DPP4 P27487 1/20 0.38
SLC6A3 Q01959 1/20 0.37
DRD2 P14416 1/20 0.37
PDK2 Q15119 1/20 0.36
HTR2C P28335 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
OPRL1 P41146 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
SCHEMBL1513363 0.80 SIGMAR1 (0.46) SIGMAR1DPP4DRD2PDK2HTR2C
SCHEMBL1513500 0.79 SIGMAR1 (0.53) SIGMAR1SLC6A2SLC6A4DRD2PDK2
SCHEMBL29980126 0.79 SIGMAR1 (0.53) SIGMAR1SLC6A2SLC6A4DRD2PDK2
SCHEMBL1513557 0.78 DRD2 (0.46) SIGMAR1SLC6A2SLC6A4DPP4DRD2
Hydrochloric Acid SCHEMBL3326791 0.78 SIGMAR1 (0.51) SIGMAR1SLC6A2SLC6A4DRD2PDK2
SCHEMBL3850487 0.75 SIGMAR1 (0.45) SIGMAR1SLC6A2SLC6A4DRD2PDK2
SCHEMBL2272271 0.74 SIGMAR1 (0.47) SIGMAR1DPP4DRD2HTR2CCCNT1
SCHEMBL1513381 0.74 DRD2 (0.46) SIGMAR1SLC6A2SLC6A4DPP4DRD2
SCHEMBL25557095 0.73 SIGMAR1 (0.40) SIGMAR1SLC6A2DRD2HTR2C
SCHEMBL2271110 0.72 HDAC3 (0.40) SIGMAR1SLC6A2SLC6A4DRD2HTR2C

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 3731/4885SLC6A2 913/4885SLC6A4 378/4885

“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.