SCHEMBL3109726

SCHEMBL3109726

Cc1cc(-c2ccccc2)sc1C(O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.42
TDO2 P48775 9/20 0.42
CHEK1 O14757 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPY5R Q15761 1/20 0.34

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
SCHEMBL3110402 0.83 CHEK1 (0.37) IDO1TDO2CHEK1CNR1CNR2
SCHEMBL3099329 0.83 PDE2A (0.39) IDO1TDO2CHEK1HSD17B2HTT
SCHEMBL3101008 0.81 IDO1 (0.42) IDO1TDO2CHEK1CNR1CNR2
SCHEMBL3101575 0.75 RXRA (0.44) CHEK1CNR1CNR2KDM4ENPSR1
SCHEMBL3110114 0.75 RCE1 (0.45) CHEK1CNR1CNR2KDM4EMAPT
SCHEMBL3109620 0.72 KDM4E (0.42) CNR1CNR2KDM4EHTTATM
SCHEMBL3101127 0.72 KDM4E (0.42) CHEK1CNR1CNR2KDM4EHTT
SCHEMBL3111686 0.69 CHEK1 (0.37) IDO1TDO2CHEK1CNR1CNR2
SCHEMBL720511 0.69 IDO1 (0.36) IDO1TDO2MAPT
SCHEMBL19277589 0.68 NPC1 (0.39) IDO1TDO2KDM4E

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR IDO1 1206/4885TDO2 1785/4885CHEK1 3225/4885

“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.