SCHEMBL4510366

SCHEMBL4510366

COc1ccc(CC2CCN([C@H]3CCc4ccccc43)C2=O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 2/20 0.46
CYP24A1 Q07973 5/20 0.44
CYP27A1 Q02318 3/20 0.44
CYP26A1 O43174 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MTNR1B P49286 9/20 0.41
MTNR1A P48039 5/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
DRD1 P21728 1/20 0.40
POLB P06746 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
SCHEMBL4514845 1.00 KDM4E (0.46) KDM4EKMT2ACYP24A1CYP27A1CYP26A1
SCHEMBL4521693 0.92 KDM4E (0.41) KDM4EKMT2ACYP24A1CYP27A1CYP26A1
SCHEMBL4510847 0.88 SMN1; SMN2 (0.52) KDM4EKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL4523991 0.87 MTNR1B (0.47) KDM4EKMT2ACYP24A1CYP27A1ALDH1A1
SCHEMBL4524149 0.87 KDM4E (0.43) KDM4EKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL4526694 0.86 KDM4E (0.44) KDM4EKMT2ACYP26A1ALDH1A1SMN1; SMN2
SCHEMBL4513609 0.86 KDM4E (0.42) KDM4EKMT2ACYP24A1CYP27A1ALDH1A1
SCHEMBL4516442 0.85 ALDH1A1 (0.41) KDM4EKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL4528181 0.84 PRMT5 (0.38) KDM4EKMT2ACYP24A1CYP27A1ALDH1A1
SCHEMBL4500555 0.84 CTSD (0.46) KDM4EKMT2ACYP26A1ALDH1A1SMN1; SMN2

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
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

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 KDM4E 2703/4885KMT2A 2379/4885CYP24A1 54/4885

“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.