SCHEMBL4510565

SCHEMBL4510565

CC1(N2CCC(Cc3ccc(OCCOCc4ccccc4)cc3Cl)C2=O)CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.39
S1PR5 Q9H228 2/20 0.39
PRKX P51817 1/20 0.39
ACVR1 Q04771 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.35
KIT P10721 6/20 0.35
FLT3 P36888 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 1/20 0.34
PIM1 P11309 1/20 0.33
PDGFRA P16234 1/20 0.33
AOC3 Q16853 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4515453 0.84 S1PR1 (0.38) S1PR1S1PR5PRKXACVR1NPC1
SCHEMBL5547531 0.83 HSD11B1 (0.40) S1PR1S1PR5PRKXACVR1MAOB
SCHEMBL14365235 0.82 HSD11B1 (0.41) S1PR1S1PR5PRKXACVR1MAOB
SCHEMBL4513747 0.79 MMP13 (0.38) NPC1RAB9AMAOBMAOAFFAR1
SCHEMBL2988985 0.79 P2RX7 (0.40)
SCHEMBL4508798 0.79 SLC6A2 (0.33) NPC1FFAR4
SCHEMBL4499324 0.78 HSD11B1 (0.54) S1PR1S1PR5PRKXACVR1MAOB
SCHEMBL4510560 0.77 HSD11B1 (0.41) S1PR1S1PR5PRKXACVR1MAOB
SCHEMBL4508927 0.77 NR1H2 (0.35) OPRK1
SCHEMBL4513610 0.76 FFAR4 (0.37) FFAR4

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 1 patent. 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

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 S1PR1 521/4885S1PR5 823/4885PRKX 3496/4885

“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.