SCHEMBL3216485

SCHEMBL3216485

Cc1nsc(-c2ccc(N3CCC4(CC3)CC(c3ccccc3)=NO4)nn2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.48
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CNR2 P34972 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
SCHEMBL3231858 0.78 SCD (0.54) SCDCNR2
SCHEMBL3224145 0.77 SCD (0.56) SCD
SCHEMBL3222045 0.76 NPY5R (0.48) SCD
SCHEMBL3230535 0.76 SCD (0.49) SCD
SCHEMBL3226409 0.74 SIGMAR1 (0.46) SCDCNR2
SCHEMBL3224546 0.73 SCD (0.52) SCD
SCHEMBL3226254 0.73 NPY5R (0.45) SCD
SCHEMBL3232416 0.73 SCD (0.54) SCD
SCHEMBL3232943 0.72 SCD (0.44) SCD
SCHEMBL3217165 0.72 SCD (0.54) 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 1/4885CHRNB4 3665/4885CHRNA3 3319/4885

“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.