SCHEMBL4510078

SCHEMBL4510078

COc1cc(Cl)cc(Cl)c1CC1CCN(C2CCC3(CC2)OCCO3)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 6/20 0.34
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
PDE4D Q08499 1/20 0.33
C5AR1 P21730 1/20 0.33
ATM Q13315 1/20 0.32
P2RX7 Q99572 1/20 0.32
PPOX P50336 1/20 0.31
CACNB4 O00305 1/20 0.31
CACNA1A O00555 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNG3 O60359 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1H O95180 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
SCHEMBL474641 0.87 ALDH1A1 (0.38) ALDH1A1POLBHSD11B1USP2C5AR1
SCHEMBL2998486 0.84 HSD11B1 (0.48) ALDH1A1POLBHSD11B1PDE4DP2RX7
SCHEMBL2206168 0.79 ALDH1A1 (0.40) ALDH1A1POLBHSD11B1MAPTC5AR1
SCHEMBL4513830 0.79 HSD11B1 (0.43) NPC1ALDH1A1POLBHSD11B1MAPT
SCHEMBL2235214 0.79 ATM (0.42) NPC1RAB9ARXFP1ALDH1A1POLB
SCHEMBL2206030 0.76 HSD11B1 (0.39) NPC1RAB9AALDH1A1HSD11B1PARP1
SCHEMBL2209243 0.76 ALDH1A1 (0.46) NPC1RAB9AALDH1A1HSD11B1MAPT
SCHEMBL4500714 0.74 HSD11B1 (0.45) ALDH1A1POLBHSD11B1MAPTTSHR
SCHEMBL4504298 0.74 ALDH1A1 (0.34) NPC1RAB9ARXFP1ALDH1A1POLB
SCHEMBL2210485 0.73 SMN1; SMN2 (0.41) NPC1RAB9AALDH1A1POLBHSD11B1

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 NPC1 286/4885RAB9A 3524/4885RXFP1 2466/4885

“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.