SCHEMBL4514647

SCHEMBL4514647

O=C1C(C2CCCCC2)CCN1Cc1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PER2 O15055 2/20 0.39
NPSR1 Q6W5P4 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
CYP2A13 Q16696 1/20 0.38
POLB P06746 3/20 0.37
TSHR P16473 3/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2299174 0.84 PER2 (0.40) PER2
SCHEMBL4524414 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1
SCHEMBL2299396 0.81 TNKS (0.36) PER2NPC1RAB9A
SCHEMBL17138582 0.80 ALDH1A1 (0.55) ALDH1A1L3MBTL1
SCHEMBL2301601 0.78 PDE4D (0.39) TDP1PER2
SCHEMBL4515903 0.77 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1HTTLMNA
SCHEMBL12386309 0.77 PER2 (0.36) PER2
SCHEMBL17138591 0.77 ALDH1A1 (0.51) ALDH1A1L3MBTL1
SCHEMBL23004906 0.75 ALDH1A1 (0.58) ALDH1A1L3MBTL1
SCHEMBL2847036 0.75 PER2 (0.35) KDM4EPER2NPSR1LMNAPOLB

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 ALDH1A1 51/4885KDM4E 2703/4885TDP1 1899/4885

“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.