SCHEMBL13675466

SCHEMBL13675466

O=C(NCCOc1ccc(CC2CCN(C3CCC4(CC3)CC4)C2=O)c(Cl)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
F10 P00742 2/20 0.39
CXCR3 P49682 7/20 0.39
FABP4 P15090 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4511934 0.92 CXCR3 (0.40) NPC1HPGDRAB9ASMN1; SMN2F10
SCHEMBL13674553 0.92 CXCR3 (0.40) NPC1HPGDRAB9ASMN1; SMN2F10
SCHEMBL13675515 0.84 MAPT (0.41) RAB9ASMN1; SMN2FFAR4POLB
SCHEMBL13675471 0.84 SLC6A9 (0.42) SMN1; SMN2FFAR4
SCHEMBL5547214 0.84 CXCR3 (0.42) NPC1F10CXCR3POLB
SCHEMBL13674555 0.84 CXCR3 (0.42) NPC1F10CXCR3POLB
SCHEMBL4501678 0.83 FFAR4 (0.36) FFAR4CXCR3
SCHEMBL13675470 0.82 FFAR4 (0.36) HPGDFFAR4
SCHEMBL4519486 0.81 KLKB1 (0.36) NPC1HPGDRAB9ASMN1; SMN2CXCR3
SCHEMBL13674551 0.78 PDK2 (0.42) FFAR4

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 NPC1 286/4885HPGD 63/4885RAB9A 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.