SCHEMBL4500417

SCHEMBL4500417

O=C(O)c1ccc(COc2ccc(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.47
HRH3 Q9Y5N1 3/20 0.44
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NR4A2 P43354 2/20 0.42
S1PR1 P21453 1/20 0.42
PRKX P51817 1/20 0.42
ACVR1 Q04771 1/20 0.42
S1PR5 Q9H228 1/20 0.42
CYP2C9 P11712 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
CCR5 P51681 1/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL4525507 0.90 HSD11B1 (0.42) HSD11B1HRH3NPC1RAB9AS1PR1
SCHEMBL4500220 0.90 MRGPRX4 (0.53) HSD11B1NPC1RAB9ACYP2C9ADRA1A
SCHEMBL4504216 0.90 HSD11B1 (0.47) HSD11B1HRH3S1PR1PRKXACVR1
SCHEMBL4519338 0.90 HSD11B1 (0.60) HSD11B1HRH3S1PR1PRKXACVR1
SCHEMBL4514405 0.89 S1PR1 (0.39) HRH3RXRARXRBRXRGNPC1
SCHEMBL4519067 0.86 HSD11B1 (0.50) HSD11B1HRH1FFAR1
SCHEMBL2988650 0.84 HSD11B1 (0.50) HSD11B1HRH3CYP2C9CCR5
SCHEMBL4511746 0.83 MRGPRX4 (0.46) HSD11B1NPC1RAB9ACYP2C9ADRA1A
SCHEMBL2993016 0.83 HSD11B1 (0.49) HSD11B1HRH3CYP2C9CCR5
SCHEMBL3744013 0.82 HSD11B1 (0.42) HSD11B1HRH3RXRARXRBRXRG

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 HSD11B1 1/4885HRH3 3961/4885RXRA 3042/4885

“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.