SCHEMBL3106944

SCHEMBL3106944

CCc1sc(C2CCOCC2)cc1C(Cl)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
HMGCR P04035 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
SCHEMBL3110369 0.91 IDO1 (0.34) IDO1TDO2HMGCR
SCHEMBL3101557 0.86 IDO1 (0.32) IDO1TDO2
SCHEMBL3101034 0.85 IDO1 (0.41) IDO1TDO2
SCHEMBL3107032 0.85 IDO1 (0.32) IDO1TDO2HMGCR
SCHEMBL3111456 0.77 IDO1 (0.33) IDO1TDO2HMGCR
SCHEMBL3101491 0.74 IDO1 (0.45) IDO1TDO2
SCHEMBL3099721 0.70 IDO1 (0.42) IDO1TDO2
SCHEMBL3109690 0.69 IDO1 (0.41) IDO1TDO2
SCHEMBL3102210 0.68 KCNH2 (0.33)
SCHEMBL3107181 0.68

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 1785/4885HMGCR 2557/4885

“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.