SCHEMBL4501901

SCHEMBL4501901

O=C(Nc1ccc(CC2CCN(C3C4CC5CC3CC(O)(C5)C4)C2=O)c(Cl)c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.60
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CHRM1 P11229 1/20 0.39
CNR1 P21554 1/20 0.39
ACKR3 P25106 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MAPK8 P45983 1/20 0.37
ACHE P22303 1/20 0.37
HSD17B1 P14061 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 2/20 0.35

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
SCHEMBL4524141 0.92 HSD11B1 (0.55) HSD11B1MAPK8KMT2AEPHX2
SCHEMBL4501764 0.92 HSD11B1 (0.54) HSD11B1NPC1RAB9ACHRM1CNR1
SCHEMBL4510498 0.91 HSD11B1 (0.51) HSD11B1CHRM1PTGDR2EPHX2
SCHEMBL4522938 0.89 HSD11B1 (0.49) HSD11B1KMT2A
SCHEMBL4515134 0.89 HSD11B1 (0.63) HSD11B1NPC1RAB9AKMT2A
SCHEMBL4501204 0.88 HSD11B1 (0.56) HSD11B1NPC1EPHX2
SCHEMBL4515700 0.88 HSD11B1 (0.54) HSD11B1EPHX2
SCHEMBL13674500 0.87 HSD11B1 (0.55) HSD11B1EPHX2
SCHEMBL4511293 0.86 HSD11B1 (0.54) HSD11B1MAPK8KMT2AEPHX2
SCHEMBL4518194 0.86 HSD11B1 (0.54) HSD11B1NPC1RAB9AMAPK8KMT2A

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 4 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

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 1/4885NPC1 286/4885RAB9A 3524/4885

“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.