SCHEMBL3226520

SCHEMBL3226520

Cc1noc(-c2ccc(N3CCC4(CC3)OC(=O)Nc3ccccc34)nn2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
SCD O00767 11/20 0.43
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCR2 P41597 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PLD2 O14939 1/20 0.38
PLD1 Q13393 1/20 0.38
NPY5R Q15761 1/20 0.38
AVPR1A P37288 1/20 0.36

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
SCHEMBL3223397 0.85 NPY5R (0.50) SCDNPY5RAVPR1A
SCHEMBL3229428 0.83 SCD (0.47) DGAT1SCDTP53CYP3A4MAPT
SCHEMBL3220824 0.82 SCD (0.45) SCD
SCHEMBL3220004 0.80 NPY5R (0.46) SCDNPY5RAVPR1A
SCHEMBL3224120 0.78 SCD (0.45) SCD
SCHEMBL3229221 0.77 SCD (0.45) SCD
SCHEMBL3223079 0.76 SCD (0.48) SCD
SCHEMBL3232971 0.76 SCD (0.46) SCD
SCHEMBL3221535 0.75 SCD (0.66) SCD
SCHEMBL3219618 0.75 SCD (0.47) SCDAVPR1A

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 DGAT1 2579/4885SCD 1/4885TP53 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.