SCHEMBL3226409

SCHEMBL3226409

Cc1nsc(-c2ccc(N3CCC4(CC3)CN(c3ccccc3)C(=O)CO4)nn2)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
OPRM1 P35372 2/20 0.46
SCD O00767 7/20 0.46
ADRA1A P35348 3/20 0.35
NPY5R Q15761 3/20 0.35
KCNH2 Q12809 2/20 0.35
CNR2 P34972 1/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL3222045 0.87 NPY5R (0.48) SIGMAR1OPRM1SCDADRA1ANPY5R
SCHEMBL3226254 0.85 NPY5R (0.45) SIGMAR1OPRM1SCDADRA1ANPY5R
SCHEMBL3229036 0.81 SCD (0.45) SIGMAR1OPRM1SCDADRA1ANPY5R
SCHEMBL3219732 0.80 SCD (0.43) SIGMAR1OPRM1SCDADRA1ANPY5R
SCHEMBL3230543 0.79 SCD (0.47) SCDADRA1ANPY5RKCNH2DGAT1
SCHEMBL3222120 0.78 SCD (0.47) SIGMAR1OPRM1SCDADRA1ANPY5R
SCHEMBL3228366 0.76 SCD (0.61) SIGMAR1OPRM1SCD
SCHEMBL3225247 0.75 SCD (0.48) OPRM1SCD
SCHEMBL3230535 0.75 SCD (0.49) SIGMAR1SCDADRA1A
SCHEMBL3216485 0.74 SCD (0.48) SCDCNR2

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 SIGMAR1 1459/4885OPRM1 2864/4885SCD 1/4885

“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.