SCHEMBL3226802

SCHEMBL3226802

CC(=O)NNC(=O)c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.45
HSD11B1 P28845 1/20 0.41
AOC3 Q16853 1/20 0.41
OXTR P30559 1/20 0.40
SCN9A Q15858 1/20 0.39
MCHR2 Q969V1 2/20 0.39

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
SCHEMBL3226814 1.00 SCD (0.45) SCDHSD11B1AOC3OXTRSCN9A
SCHEMBL3228533 0.88 SCD (0.39) SCDAOC3OXTRMCHR2
SCHEMBL3225971 0.84 SCD (0.49) SCDHSD11B1AOC3OXTRSCN9A
SCHEMBL3225964 0.84 SCD (0.49) SCDHSD11B1AOC3OXTRSCN9A
SCHEMBL3225799 0.84 SCD (0.46) SCDHSD11B1AOC3OXTR
SCHEMBL3225795 0.84 SCD (0.46) SCDHSD11B1AOC3OXTR
SCHEMBL3220064 0.84 SCD (0.51) SCD
SCHEMBL3220070 0.84 SCD (0.51) SCD
SCHEMBL3231954 0.82 SCD (0.43) SCDHSD11B1AOC3SCN9AMCHR2
SCHEMBL3231690 0.82 DCTPP1 (0.52) SCD

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 1/4885HSD11B1 9/4885AOC3 2266/4885

“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.