SCHEMBL4510001

SCHEMBL4510001

Cc1nc(COc2ccc(CC3CCN(C4CCC(C)(O)CC4)C3=O)c(Cl)c2)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
ALOX5AP P20292 2/20 0.33
MAPT P10636 1/20 0.33
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
AR P10275 1/20 0.32
MAPK14 Q16539 2/20 0.32

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
SCHEMBL4525260 0.91 ERBB2 (0.33) NPC1RAB9AMAPTBMPR1BBMPR1A
SCHEMBL4515820 0.89 GSK3B (0.35) NPC1RAB9AALOX5APMAPTBMPR1B
SCHEMBL5547233 0.87 MMP13 (0.37) NMT1ALOX5ALOX5APBMPR1BBMPR1A
SCHEMBL4504959 0.82 HSD11B1 (0.48) NMT1L3MBTL1ALOX5MEN1KMT2A
SCHEMBL4510197 0.82 OPRM1 (0.39) HTR2ASLC6A4MAPT
SCHEMBL13674485 0.82 OPRM1 (0.39) HTR2ASLC6A4MAPT
SCHEMBL4508467 0.82 S1PR1 (0.37) BMPR1AACVRL1ACVR1MMP1ADAM17
SCHEMBL4505225 0.81 HSP90AA1 (0.39) SLC6A4BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL4509399 0.81 MCL1 (0.39) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4514955 0.81 S1PR1 (0.40) SLC6A4BMPR1BBMPR1ATGFBR1ACVRL1

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 NMT1 388/4885L3MBTL1 3517/4885ALOX5 266/4885

“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.