SCHEMBL4518607

SCHEMBL4518607

COC(=O)c1ccc(CC2CCN(C3CCCCC3)C2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.63
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
EPHX1 P07099 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
EPHX2 P34913 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL4701592 0.88 HSD11B1 (0.49) HSD11B1ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL4700534 0.87 HSD11B1 (0.48) HSD11B1ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL4518867 0.86 HSD11B1 (0.63) HSD11B1ALDH1A1LMNAKMT2A
SCHEMBL4517638 0.85 HSD11B1 (0.73) HSD11B1ALDH1A1SMN1; SMN2EPHX2KMT2A
SCHEMBL4525490 0.83 HSD11B1 (0.63) HSD11B1ALDH1A1LMNAKMT2A
SCHEMBL4696865 0.83 HSD11B1 (0.47) HSD11B1ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL3554688 0.83 HSD11B1 (0.69) HSD11B1ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL2985330 0.82 ALDH1A1 (0.49) HSD11B1ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL208480 0.82 HSD11B1 (0.45) HSD11B1ALDH1A1SMN1; SMN2ATMNPSR1
SCHEMBL3548392 0.82 HSD11B1 (0.76) HSD11B1ALDH1A1KMT2A

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 HSD11B1 1/4885ALDH1A1 51/4885SMN1; SMN2 4487/4885

“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.