SCHEMBL4513747

SCHEMBL4513747

CC1(N2CCC(Cc3ccc(OCc4cscn4)cc3Cl)C2=O)CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.38
MMP14 P50281 1/20 0.38
GRM5 P41594 1/20 0.34
ALOX5 P09917 2/20 0.33
MAPK14 Q16539 2/20 0.32
ALOX5AP P20292 1/20 0.32
MAOB P27338 2/20 0.32
P2RX7 Q99572 2/20 0.32
ACHE P22303 1/20 0.32
MAOA P21397 1/20 0.32
NMT1 P30419 1/20 0.32
FFAR1 O14842 5/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
MMP1 P03956 2/20 0.31
ADAM17 P78536 2/20 0.31
ADAMTS4 O75173 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
CFD P00746 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
SCHEMBL4515453 0.83 S1PR1 (0.38) MAOBP2RX7MAOAFFAR1NPC1
SCHEMBL5547233 0.83 MMP13 (0.37) MMP13MMP14GRM5ALOX5ALOX5AP
SCHEMBL2988985 0.81 P2RX7 (0.40) P2RX7
SCHEMBL4510565 0.79 S1PR1 (0.39) MAOBMAOAFFAR1NPC1RAB9A
SCHEMBL4513743 0.78 GRM5 (0.36) MMP13MMP14GRM5ALOX5ALOX5AP
SCHEMBL4523529 0.78 P2RX7 (0.42) P2RX7
SCHEMBL4513610 0.76 FFAR4 (0.37) P2RX7MAPT
SCHEMBL4503632 0.76 HSD11B1 (0.50) MMP13MMP14GRM5ALOX5NMT1
SCHEMBL4508798 0.74 SLC6A2 (0.33) NPC1HPGD
SCHEMBL4508784 0.73 L3MBTL1 (0.38)

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 MMP13 1022/4885MMP14 405/4885GRM5 2284/4885

“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.