SCHEMBL2269119

SCHEMBL2269119

COc1ccc(C2(O)CCNCC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.55
DRD2 P14416 1/20 0.50
LMNA P02545 1/20 0.48
MAOA P21397 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 2/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL23232233 0.88 LMNA (0.54) SIGMAR1LMNAMAOAKDM4EMEN1
SCHEMBL3068577 0.86 DRD2 (0.54) SIGMAR1DRD2KDM4EMAPK1SLC6A2
SCHEMBL27573377 0.86 SIGMAR1 (0.51) SIGMAR1DRD2LMNAMAOAKDM4E
Hydrochloric Acid SCHEMBL3066723 0.84 DRD2 (0.53) SIGMAR1DRD2KDM4EMAPK1SLC6A2
SCHEMBL11825786 0.83 LMNA (0.62) LMNAMAOAKDM4EMEN1KMT2A
SCHEMBL10650155 0.81 LMNA (0.47) SIGMAR1LMNAMAOAKDM4EMEN1
SCHEMBL6730322 0.78 DRD2 (0.47) SIGMAR1DRD2LMNAMEN1KMT2A
SCHEMBL654668 0.77 DRD2 (0.59) SIGMAR1DRD2LMNAMEN1KMT2A
SCHEMBL22047755 0.76 LMNA (0.44) SIGMAR1LMNAMAOAKDM4EMEN1
SCHEMBL23325964 0.76 PDE4B (0.53) MEN1KMT2A

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 10 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-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
EP-0861832-A1 Novel tetrahydropyridine derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1998-09-02 EP disclosed
US-5410058-A Exhibit high affinity and specificity to alpha receptors; useful in treating some psychoses SHIONOGI & CO., LTD. (JP) 1995-04-25 US disclosed
US-5362873-A Tetrahydropyridine derivatives SHIONOGI & CO., LTD. (JP) 1994-11-08 US disclosed
US-5243051-A Treatment of psychological disorders SHIONIGI & CO., LTD. (JP) 1993-09-07 US disclosed
US-5149817-A Psychotropic agents SHIONOGI & CO., LTD. (JP) 1992-09-22 US disclosed
EP-0445701-A1 Novel tetrahydropyridine derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-09-11 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 3731/4885DRD2 3805/4885LMNA 3390/4885

“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.