SCHEMBL3229299

SCHEMBL3229299

CCOC(=O)c1noc(-c2ccc(N3CCC4(COc5ccccc54)C3)nn2)n1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.68
SLC26A6 Q9BXS9 1/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
IDO1 P14902 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
SCHEMBL3229305 1.00 SCD (0.68) SCDSLC26A6TNKSTNKS2IDO1
SCHEMBL3222800 0.95 SCD (0.61) SCDTNKSTNKS2IDO1
SCHEMBL3222789 0.95 SCD (0.61) SCDTNKSTNKS2IDO1
SCHEMBL3232181 0.84 SCD (0.75) SCDTNKSTNKS2
SCHEMBL3213352 0.82 SCD (0.81) SCDTNKSTNKS2
SCHEMBL3213366 0.82 SCD (0.81) SCDTNKSTNKS2
SCHEMBL3232922 0.81 SCD (0.44) SCD
SCHEMBL3232909 0.81 SCD (0.44) SCD
SCHEMBL3226218 0.81 SCD (1.00) SCDTNKSTNKS2
SCHEMBL3226209 0.81 SCD (1.00) SCDTNKSTNKS2

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-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 SCD 1/4885SLC26A6 2198/4885TNKS 2988/4885

“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.