SCHEMBL743916

SCHEMBL743916

CC(C)(C)OC(=O)N1CCC2(CC1)CC(O[Si](C)(C)C(C)(C)C)c1cc(C(=N)NO)ccc1O2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.44
GPR119 Q8TDV5 8/20 0.40
HRH3 Q9Y5N1 1/20 0.38
PKM P14618 1/20 0.37
NAMPT P43490 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL15178373 0.89 IDO1 (0.43) IDO1GPR119HRH3PKMNAMPT
SCHEMBL15178335 0.88 IDO1 (0.41) IDO1GPR119HRH3PKMNAMPT
SCHEMBL309455 0.85 IDO1 (0.41) IDO1GPR119HRH3PKMNAMPT
SCHEMBL309454 0.85 IDO1 (0.41) IDO1GPR119HRH3PKMNAMPT
SCHEMBL309181 0.82 IDO1 (0.45) IDO1GPR119
SCHEMBL743373 0.82 IDO1 (0.43) IDO1GPR119HRH3NAMPT
SCHEMBL309180 0.82 IDO1 (0.45) IDO1GPR119
SCHEMBL741130 0.81 IDO1 (0.35) IDO1GPR119NAMPT
SCHEMBL1815579 0.78 IDO1 (0.41) IDO1GPR119HRH3PKMNAMPT
SCHEMBL309170 0.78 IDO1 (0.41) IDO1GPR119HRH3PKMNAMPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 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 (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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 IDO1 280/4885GPR119 1243/4885HRH3 716/4885

“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.