SCHEMBL13675456

SCHEMBL13675456

O=C(NCC1=CCCO1)c1ccc(CC2CCN(C3CCCCC3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.51
LMNA P02545 2/20 0.39
ALDH1A1 P00352 6/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 2/20 0.35
CXCR4 P61073 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.35
HDAC1 Q13547 1/20 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
SCHEMBL4508535 0.82 HSD11B1 (0.70) HSD11B1LMNAALDH1A1NPSR1POLB
SCHEMBL4516593 0.80 ALDH1A1 (0.59) HSD11B1LMNAALDH1A1POLBMAPT
SCHEMBL4518867 0.78 HSD11B1 (0.63) HSD11B1LMNAALDH1A1KMT2A
SCHEMBL4517638 0.76 HSD11B1 (0.73) HSD11B1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4511332 0.75 HSD11B1 (0.68) HSD11B1LMNAALDH1A1KMT2AMEN1
SCHEMBL4518607 0.74 HSD11B1 (0.63) HSD11B1LMNAALDH1A1NPSR1KMT2A
SCHEMBL4525490 0.72 HSD11B1 (0.63) HSD11B1LMNAALDH1A1POLBKMT2A
SCHEMBL3548392 0.71 HSD11B1 (0.76) HSD11B1ALDH1A1KMT2AMEN1
SCHEMBL4514748 0.70 HSD11B1 (0.74) HSD11B1LMNAALDH1A1POLBKMT2A
SCHEMBL14365000 0.70 HSD11B1 (0.74) HSD11B1ALDH1A1KMT2ASMN1; 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 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 1/4885LMNA 2846/4885ALDH1A1 51/4885

“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.