SCHEMBL13675469

SCHEMBL13675469

CN(C(=O)CCc1ccccc1)c1ccc(CC2CCN(C3CCC(C)(C)CC3)C2=O)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MLYCD O95822 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
P2RX7 Q99572 2/20 0.34
OPRM1 P35372 3/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
NPY5R Q15761 1/20 0.33
NPY2R P49146 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
SCHEMBL5548215 0.94 HSD11B1 (0.40) HSD11B1MEN1KMT2AMLYCDSIGMAR1
SCHEMBL13675464 0.83 PTGDR2 (0.44) HSD11B1MEN1KMT2A
SCHEMBL4513549 0.81 HSD11B1 (0.38) HSD11B1CHRM2CHRM3P2RX7OPRM1
SCHEMBL4514751 0.77 PTGDR2 (0.44) HSD11B1MEN1KMT2A
SCHEMBL4509610 0.77 ALDH1A1 (0.36) HSD11B1MEN1KMT2AOPRD1OPRK1
SCHEMBL4507389 0.77 HSD11B1 (0.49) HSD11B1KMT2ASIGMAR1P2RX7OPRK1
SCHEMBL14365228 0.76 HSD11B1 (0.39) HSD11B1P2RX7OPRM1OPRD1OPRK1
SCHEMBL4525978 0.75 HSD11B1 (0.46) HSD11B1KMT2ASIGMAR1P2RX7OPRK1
SCHEMBL4515881 0.75 HSD11B1 (0.57) HSD11B1KMT2AOPRD1
SCHEMBL13674550 0.74 OPRM1 (0.42) HSD11B1MEN1KMT2AOPRM1OPRD1

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 1 patent. 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

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 1/4885MEN1 1254/4885KMT2A 2379/4885

“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.