SCHEMBL4523787

SCHEMBL4523787

O=C1CCCN1C1CCCc2ccccc21.O=C1CCCN1C1CCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.58
OPRK1 P41145 7/20 0.50
OPRM1 P35372 6/20 0.50
OPRL1 P41146 6/20 0.50
HSD11B1 P28845 2/20 0.49
CHRNA7 P36544 1/20 0.49
OPRD1 P41143 3/20 0.46
ALDH1A1 P00352 5/20 0.45
LMNA P02545 2/20 0.45
ABCB11 O95342 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL4500495 0.97 MGLL (0.60) MGLLOPRK1OPRM1OPRL1HSD11B1
SCHEMBL4505498 0.95 MGLL (0.62) MGLLOPRK1OPRM1OPRL1HSD11B1
SCHEMBL4525994 0.95 MGLL (0.62) MGLLOPRK1OPRM1OPRL1HSD11B1
SCHEMBL4526146 0.95 MGLL (0.62) MGLLOPRK1OPRM1OPRL1HSD11B1
SCHEMBL8202651 0.93 MGLL (0.56) MGLLOPRK1OPRM1OPRL1HSD11B1
SCHEMBL8202659 0.93 MGLL (0.56) MGLLOPRK1OPRM1OPRL1HSD11B1
SCHEMBL12450875 0.85 ALDH1A1 (0.56) MGLLOPRK1OPRM1OPRL1HSD11B1
SCHEMBL7373733 0.85 MGLL (0.53) MGLLOPRK1OPRM1OPRL1HSD11B1
SCHEMBL29961061 0.83 ALDH1A1 (0.56) MGLLOPRK1OPRM1OPRL1HSD11B1
SCHEMBL30940283 0.81 MGLL (0.49) MGLLOPRK1OPRM1OPRL1HSD11B1

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 2 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
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 MGLL 374/4885OPRK1 3019/4885OPRM1 3446/4885

“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.