SCHEMBL5378396

SCHEMBL5378396

O=C(O)N1CCCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.52
OPRL1 P41146 9/20 0.52
OPRD1 P41143 8/20 0.52
OPRK1 P41145 8/20 0.52
HTR1A P08908 7/20 0.47
DRD2 P14416 7/20 0.47
DRD4 P21917 7/20 0.47
HTR2A P28223 7/20 0.47
HTR2C P28335 7/20 0.47
HTR7 P34969 7/20 0.47
HTR1D P28221 6/20 0.47
HRH2 P25021 6/20 0.47
DRD3 P35462 6/20 0.47
HTR2B P41595 6/20 0.47
DRD1 P21728 5/20 0.47
DRD5 P21918 5/20 0.47
SLC6A2 P23975 5/20 0.47
SLC6A4 P31645 5/20 0.47
HTR6 P50406 5/20 0.47
SLC6A3 Q01959 5/20 0.47

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
SCHEMBL3387476 0.85 OPRM1 (0.61) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL7684746 0.85 HPGD (0.43) OPRM1DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL9310673 0.85 OPRM1 (0.49) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL11020869 0.79 OPRM1 (0.57) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL11450342 0.78 OPRM1 (0.61) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL5371488 0.78 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL9311212 0.77 OPRM1 (0.52) OPRM1OPRL1OPRD1OPRK1HTR1A
Hydrochloric Acid SCHEMBL11437813 0.77 OPRM1 (0.60) OPRM1OPRL1OPRD1OPRK1HTR1A
SCHEMBL1824469 0.77 DRD2 (0.46) OPRM1DRD2DRD4DRD3SLC6A2
SCHEMBL12369585 0.76 MAPK10 (0.42) OPRM1OPRL1OPRD1OPRK1SCN1A

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 3 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-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 OPRM1 3770/4885OPRL1 3885/4885OPRD1 3666/4885

“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.