SCHEMBL3055170

SCHEMBL3055170

N[C@@H]1CCN(Cc2ccco2)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
TRPV6 Q9H1D0 1/20 0.47
CXCR3 P49682 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GBA1 P04062 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PARP2 Q9UGN5 1/20 0.42
LMNA P02545 1/20 0.42
PARP1 P09874 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ROCK2 O75116 1/20 0.41
CCR2 P41597 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL13850111 0.91 SIGMAR1 (0.47) SIGMAR1TRPV6CYP2D6CYP2C9CYP2C19
SCHEMBL17304911 0.83 SIGMAR1 (0.45) SIGMAR1TRPV6CYP2D6CYP2C9CYP2C19
SCHEMBL4623772 0.77 CXCR4 (0.53) SIGMAR1TRPV6CXCR3CYP2D6CYP2C9
SCHEMBL23198133 0.77 TRPV6 (0.52) SIGMAR1TRPV6CXCR3CYP2D6CYP2C9
SCHEMBL14375212 0.77 ACHE (0.54) SIGMAR1TRPV6CXCR3CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4887046 0.76 CXCR4 (0.51) SIGMAR1TRPV6CXCR3CYP2D6CYP2C9
SCHEMBL13176517 0.75 SIGMAR1 (0.47) SIGMAR1TRPV6CYP2C19ALDH1A1LMNA
SCHEMBL13375739 0.74 TRPV6 (0.50) SIGMAR1TRPV6CXCR3CYP2D6CYP2C9
SCHEMBL31670698 0.73 SIGMAR1 (0.55) SIGMAR1TRPV6CYP2D6CYP2C9CYP2C19
SCHEMBL8045561 0.73 SIGMAR1 (0.55) SIGMAR1TRPV6CYP2D6CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SIGMAR1 2301/4885TRPV6 4285/4885CXCR3 3286/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SIGMAR1 2301/4885TRPV6 4285/4885CXCR3 3286/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SIGMAR1 2301/4885TRPV6 4285/4885CXCR3 3286/4885

“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.