SCHEMBL4513878

SCHEMBL4513878

COc1cccc2c1CCCC2N1CCC(Cc2c(Cl)cccc2Cl)C1=O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.51
PARP1 P09874 1/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42

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
SCHEMBL4521429 0.86 SIGMAR1 (0.47) SIGMAR1PARP1DRD2DRD4
SCHEMBL4509054 0.85 TAS1R3 (0.43) SIGMAR1
SCHEMBL14365068 0.85 TAS1R3 (0.43) SIGMAR1
SCHEMBL4525684 0.84 SIGMAR1 (0.46) SIGMAR1PARP1DRD2DRD4
SCHEMBL5541253 0.84 KDM4E (0.39) DRD4
SCHEMBL4504607 0.84 KDM4E (0.39) DRD4
SCHEMBL4527590 0.83 SIGMAR1 (0.43) SIGMAR1PARP1DRD2DRD4
SCHEMBL4518733 0.82 SIGMAR1 (0.43) SIGMAR1PARP1DRD2DRD4
SCHEMBL4515302 0.81 OPRM1 (0.43)
SCHEMBL4518738 0.81 SIGMAR1 (0.43) SIGMAR1PARP1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 SIGMAR1 2409/4885PARP1 2840/4885DRD2 4099/4885

“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.