SCHEMBL4515820

SCHEMBL4515820

CCOC(=O)c1nc(COc2ccc(CC3CCN(C4CCC(C)(O)CC4)C3=O)c(Cl)c2)cs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.35
MAPT P10636 2/20 0.32
ALOX5AP P20292 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
BMPR1B O00238 1/20 0.31
BMPR1A P36894 1/20 0.31
TGFBR1 P36897 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
MMP1 P03956 3/20 0.31
ADAM17 P78536 2/20 0.31
ADAMTS4 O75173 1/20 0.31
TNF P01375 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL4510001 0.89 NMT1 (0.36) MAPTALOX5APNPC1RAB9ABMPR1B
SCHEMBL4525260 0.86 ERBB2 (0.33) MAPTNPC1RAB9ABMPR1BBMPR1A
SCHEMBL4498630 0.84 HSD11B1 (0.44) GSK3BMAPTALOX5APNPC1RAB9A
SCHEMBL5547233 0.83 MMP13 (0.37) ALOX5APBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL4509399 0.79 MCL1 (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4510855 0.78 ALDH1A1 (0.39) MAPTNPC1RAB9ABMPR1BBMPR1A
SCHEMBL4510197 0.78 OPRM1 (0.39) MAPTALDH1A1
SCHEMBL13674485 0.78 OPRM1 (0.39) MAPTALDH1A1
SCHEMBL4508467 0.78 S1PR1 (0.37) BMPR1AACVRL1ACVR1MMP1ADAM17
SCHEMBL4519921 0.77 RAB9A (0.39) MAPTNPC1RAB9AACVR1FFAR1

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 GSK3B 743/4885MAPT 4692/4885ALOX5AP 636/4885

“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.