SCHEMBL4525684

SCHEMBL4525684

COc1cccc2c1CCCC2N1CCC(Cc2ccc(O)cc2Cl)C1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
FKBP1A P62942 2/20 0.40
PARP1 P09874 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 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
SCHEMBL4521429 0.91 SIGMAR1 (0.47) SIGMAR1FKBP1APARP1DRD2DRD4
SCHEMBL4512706 0.88 TAS1R3 (0.38) SIGMAR1TAS1R3TAS1R1TAS1R2DRD2
SCHEMBL4527590 0.86 SIGMAR1 (0.43) SIGMAR1FKBP1APARP1DRD2DRD4
SCHEMBL4513878 0.84 SIGMAR1 (0.51) SIGMAR1PARP1DRD2DRD4
SCHEMBL4513325 0.81 KDM4E (0.40) SIGMAR1TAS1R3TAS1R1TAS1R2
SCHEMBL4518733 0.81 SIGMAR1 (0.43) SIGMAR1PARP1DRD2DRD4
SCHEMBL4526694 0.80 KDM4E (0.44) DRD2DRD4
SCHEMBL4518738 0.79 SIGMAR1 (0.43) SIGMAR1PARP1DRD2DRD4
SCHEMBL4514845 0.75 KDM4E (0.46)
SCHEMBL4510366 0.75 KDM4E (0.46)

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 2409/4885TAS1R3 4185/4885TAS1R1 2679/4885

“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.