SCHEMBL4511067

SCHEMBL4511067

COCOc1ccc(CC2CCN(N3CCc4ccccc43)C2=O)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 5/20 0.36
CYP27A1 Q02318 3/20 0.36
CYP26A1 O43174 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
TSHR P16473 1/20 0.34
GAA P10253 3/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4505110 0.83 SMN1; SMN2 (0.47) GAAKMT2AMAPTSMN1; SMN2POLB
SCHEMBL4516396 0.81 HTR1A (0.35) OPRM1OPRD1OPRK1POLBKDM4E
SCHEMBL4509124 0.80 DAO (0.36) CYP26A1MAPTSMN1; SMN2POLBLMNA
SCHEMBL4521693 0.79 KDM4E (0.41) CYP24A1CYP27A1CYP26A1OPRM1OPRD1
SCHEMBL4526107 0.77 POLB (0.43) TSHRKMT2AMAPTPOLBNPC1
SCHEMBL4519244 0.75 HSD11B1 (0.47) OPRM1OPRD1OPRK1TSHRGAA
SCHEMBL4509869 0.71 HTR1A (0.42) CYP24A1CYP27A1CYP26A1OPRM1OPRD1
SCHEMBL4504298 0.70 ALDH1A1 (0.34) OPRM1OPRD1OPRK1GAAKMT2A
SCHEMBL4527590 0.70 SIGMAR1 (0.43)
SCHEMBL4514845 0.69 KDM4E (0.46) CYP24A1CYP27A1CYP26A1OPRM1OPRD1

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 CYP24A1 54/4885CYP27A1 18/4885CYP26A1 66/4885

“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.