SCHEMBL3229428

SCHEMBL3229428

Cc1nsc(-c2ccc(N3CCC4(CC3)OC(=O)Nc3ccccc34)nn2)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.47
DGAT1 O75907 1/20 0.43
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLD2 O14939 1/20 0.37
PLD1 Q13393 1/20 0.37
NPY5R Q15761 6/20 0.36
CCR2 P41597 2/20 0.35
AVPR1A P37288 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CALCRL Q16602 2/20 0.35
CNR2 P34972 1/20 0.33

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
SCHEMBL3226520 0.83 DGAT1 (0.44) SCDDGAT1TP53CYP3A4MAPT
SCHEMBL3232416 0.79 SCD (0.54) SCDAVPR1A
SCHEMBL3224590 0.77 SCD (0.50) SCDCNR2
SCHEMBL3223912 0.76 SCD (0.49) SCDNPY5RCNR2
SCHEMBL3222053 0.76 SCD (0.50) SCDAVPR1A
SCHEMBL3233686 0.75 SCD (0.48) SCDMAPTCNR2
SCHEMBL3225972 0.75 SCD (0.51) SCDCNR2
SCHEMBL3217165 0.75 SCD (0.54) SCD
SCHEMBL3222045 0.74 NPY5R (0.48) SCDDGAT1NPY5R
SCHEMBL3230535 0.74 SCD (0.49) 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 1/4885DGAT1 2579/4885TP53 4297/4885

“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.