SCHEMBL4512718

SCHEMBL4512718

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
ACVRL1 P37023 2/20 0.35
ACVR1 Q04771 2/20 0.35
BMPR1B O00238 1/20 0.35
BMPR1A P36894 1/20 0.35
TGFBR1 P36897 1/20 0.35
PDK2 Q15119 1/20 0.34
GHSR Q92847 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
MMP1 P03956 3/20 0.33
ADAM17 P78536 2/20 0.33
HSD11B1 P28845 1/20 0.33
ATF4 P18848 1/20 0.33
ADAMTS4 O75173 1/20 0.33
TNF P01375 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
SCHEMBL14365385 0.94 MAOA (0.38) ALDH1A1GAAMAOAMAOBGHSR
SCHEMBL4509399 0.93 MCL1 (0.39) ALDH1A1GAAACVRL1ACVR1BMPR1B
SCHEMBL13674510 0.90 ALDH1A1 (0.38) ALDH1A1GAAACVRL1ACVR1BMPR1B
SCHEMBL13674552 0.88 ACVRL1 (0.36) ALDH1A1GAAMAOAMAOBACVRL1
SCHEMBL4511135 0.88 ATF4 (0.47) ALDH1A1GAAACVRL1ACVR1BMPR1B
SCHEMBL4510855 0.88 ALDH1A1 (0.39) ALDH1A1GAAACVRL1ACVR1BMPR1B
SCHEMBL4510197 0.88 OPRM1 (0.39) ALDH1A1OPRM1OPRD1OPRK1HSD11B1
SCHEMBL13674485 0.88 OPRM1 (0.39) ALDH1A1OPRM1OPRD1OPRK1HSD11B1
Hydrochloric Acid SCHEMBL4522836 0.87 ACVRL1 (0.36) ALDH1A1GAAMAOAMAOBACVRL1
SCHEMBL4505225 0.87 HSP90AA1 (0.39) ALDH1A1GAAACVRL1ACVR1BMPR1B

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 1261/4885MAOA 1927/4885

“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.