SCHEMBL22040671

SCHEMBL22040671

CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N)c1cc(Br)ccc1O2

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 17/20 0.57
GPR119 Q8TDV5 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL31236088 0.89 IDO1 (0.57) IDO1GPR119HRH3
SCHEMBL12491393 0.89 IDO1 (0.57) IDO1GPR119HRH3
SCHEMBL22039280 0.89 IDO1 (0.56) IDO1
Hydrochloric Acid SCHEMBL21979354 0.88 IDO1 (0.55) IDO1
Hydrochloric Acid SCHEMBL21979356 0.88 IDO1 (0.55) IDO1
SCHEMBL22039274 0.87 IDO1 (0.64) IDO1
SCHEMBL20616586 0.87 IDO1 (0.64) IDO1
SCHEMBL31236009 0.83 IDO1 (0.54) IDO1GPR119HRH3
Hydrochloric Acid SCHEMBL21979441 0.83 IDO1 (0.45) IDO1
SCHEMBL17709203 0.82 IDO1 (0.47) IDO1GPR119HRH3

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-10906924-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-02 US disclosed
US-20200165280-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-05-28 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 (2 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-20200165280-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 IDO1 1/4885GPR119 41/4885HRH3 1041/4885
US-10906924-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 IDO1 1/4885GPR119 41/4885HRH3 1041/4885

“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.