SCHEMBL4511934

SCHEMBL4511934

CC1(O)CCC(N2CCC(Cc3ccc(OCCNC(=O)c4ccccc4)cc3Cl)C2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 10/20 0.40
NPC1 O15118 2/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F10 P00742 2/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL13674553 1.00 CXCR3 (0.40) CXCR3NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL13675466 0.92 NPC1 (0.41) CXCR3NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4501678 0.92 FFAR4 (0.36) CXCR3
SCHEMBL5547214 0.92 CXCR3 (0.42) CXCR3NPC1F10POLB
SCHEMBL13674555 0.92 CXCR3 (0.42) CXCR3NPC1F10POLB
SCHEMBL4519486 0.88 KLKB1 (0.36) CXCR3NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL13674551 0.86 PDK2 (0.42)
SCHEMBL4515543 0.86 SLC6A9 (0.41) SMN1; SMN2
SCHEMBL13674556 0.86 SLC6A9 (0.41) SMN1; SMN2
SCHEMBL4514859 0.85 MAPT (0.40) RAB9ASMN1; SMN2POLB

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 3 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
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 CXCR3 3585/4885NPC1 286/4885HPGD 63/4885

“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.