SCHEMBL4504293

SCHEMBL4504293

CC1(O)CCC(N2CCC(Cc3ccc(OCC(=O)NCC4CC4)cc3Cl)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
FAAH O00519 6/20 0.40
ACHE P22303 6/20 0.40
BCHE P06276 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ATF4 P18848 1/20 0.36
NPC1 O15118 1/20 0.36
GBA1 P04062 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 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
SCHEMBL5543837 0.89 P2RX7 (0.43)
SCHEMBL4511135 0.88 ATF4 (0.47) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL4509276 0.88 ALDH1A1 (0.40) ALDH1A1GAAFAAHACHEBCHE
SCHEMBL4509399 0.88 MCL1 (0.39) ALDH1A1GAA
SCHEMBL4508294 0.87 ALDH1A1 (0.43) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL13674510 0.87 ALDH1A1 (0.38) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL4512718 0.86 ALDH1A1 (0.36) ALDH1A1GAAATF4
SCHEMBL4505225 0.86 HSP90AA1 (0.39) ALDH1A1GAA
SCHEMBL4515494 0.85 HPGD (0.43) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL4500860 0.85 ALDH1A1 (0.39) ALDH1A1GAASMN1; 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 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 ALDH1A1 51/4885GAA 1261/4885FAAH 910/4885

“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.