SCHEMBL732818

SCHEMBL732818

CC(C)(C)[Si](C)(C)OC1CC2(CCN(C(=O)O)CC2)Oc2ccc(C#N)cc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
ABCB1 P08183 16/20 0.41
KCNH2 Q12809 2/20 0.37
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37

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
SCHEMBL309181 0.90 IDO1 (0.45) IDO1ABCB1
SCHEMBL309180 0.90 IDO1 (0.45) IDO1ABCB1
SCHEMBL732811 0.81 IDO1 (0.35) IDO1
SCHEMBL732812 0.81 IDO1 (0.35) IDO1
SCHEMBL730753 0.80 KCNH2 (0.50) IDO1ABCB1KCNH2ABCC9ABCC8
SCHEMBL733219 0.78 RBP4 (0.35) IDO1KCNH2
SCHEMBL307381 0.74 KCNH2 (0.49) IDO1ABCB1KCNH2
SCHEMBL308722 0.74 KCNH2 (0.49) IDO1ABCB1KCNH2
SCHEMBL743373 0.74 IDO1 (0.43) IDO1
SCHEMBL4707537 0.72 KCNH2 (0.74) IDO1KCNH2

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 280/4885ABCB1 1405/4885KCNH2 388/4885

“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.