SCHEMBL3222239

SCHEMBL3222239

O=C(Nc1cccnc1)c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.44
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 1/20 0.41
HSD11B1 P28845 1/20 0.40
PTPN11 Q06124 1/20 0.39
RAB9A P51151 1/20 0.39
NAMPT P43490 1/20 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
SCHEMBL3222234 1.00 SCD (0.44) SCDDRD2DRD4DRD3HSD11B1
SCHEMBL3225971 0.90 SCD (0.49) SCDHSD11B1
SCHEMBL3225964 0.90 SCD (0.49) SCDHSD11B1
SCHEMBL3231954 0.90 SCD (0.43) SCDHSD11B1
SCHEMBL3231947 0.90 SCD (0.43) SCDHSD11B1
SCHEMBL3226700 0.85 SCD (0.62) SCD
SCHEMBL3226709 0.85 SCD (0.62) SCD
SCHEMBL3234074 0.83 SCD (0.52) SCD
SCHEMBL3234079 0.83 SCD (0.52) SCD
SCHEMBL3230333 0.83 HSD11B1 (0.43) SCDHSD11B1PTPN11RAB9A

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 1/4885DRD2 1767/4885DRD4 1386/4885

“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.