SCHEMBL4512739

SCHEMBL4512739

CC1(O)CCC(N2CCC(Cc3ccccc3Cl)C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.46
ROCK2 O75116 1/20 0.42
CHRM3 P20309 1/20 0.38
SLC6A4 P31645 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
CES2 O00748 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 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
SCHEMBL13674487 1.00 HSD11B1 (0.46) HSD11B1ROCK2CHRM3SLC6A4MAPT
SCHEMBL4509440 0.87 HSD11B1 (0.44) HSD11B1TSHRALDH1A1LMNAMEN1
SCHEMBL3001594 0.86 P2RX7 (0.42) HSD11B1
SCHEMBL3001590 0.86 P2RX7 (0.42) HSD11B1
SCHEMBL13674486 0.86 P2RX7 (0.42) HSD11B1
SCHEMBL3001587 0.86 P2RX7 (0.42) HSD11B1
SCHEMBL4502408 0.85 HSD11B1 (0.39) HSD11B1
SCHEMBL4512668 0.85 P2RX7 (0.41) HSD11B1MAPTALDH1A1MEN1KMT2A
SCHEMBL13674489 0.85 P2RX7 (0.41) HSD11B1MAPTALDH1A1MEN1KMT2A
SCHEMBL4514504 0.84 HSD11B1 (0.38) HSD11B1ROCK2ALDH1A1HTT

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 5 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
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 HSD11B1 1/4885ROCK2 2463/4885CHRM3 4537/4885

“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.