SCHEMBL3229465

SCHEMBL3229465

O=C(NCc1ccccn1)c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.47
GLS O94925 1/20 0.42
AOC3 Q16853 1/20 0.41
PTPN11 Q06124 1/20 0.41
DCTPP1 Q9H773 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3229461 1.00 SCD (0.47) SCDGLSAOC3PTPN11DCTPP1
SCHEMBL3224982 0.91 SCD (0.46) SCDAOC3DCTPP1
SCHEMBL3224990 0.91 SCD (0.46) SCDAOC3DCTPP1
SCHEMBL3231690 0.87 DCTPP1 (0.52) SCDDCTPP1
SCHEMBL3231697 0.87 DCTPP1 (0.52) SCDDCTPP1
SCHEMBL3220070 0.85 SCD (0.51) SCDDCTPP1
SCHEMBL3220064 0.85 SCD (0.51) SCDDCTPP1
SCHEMBL3215899 0.85 SCD (0.47) SCDDCTPP1KDM4EHSD17B10
SCHEMBL3215906 0.85 SCD (0.47) SCDDCTPP1KDM4EHSD17B10
SCHEMBL3230328 0.84 HSD11B1 (0.43) SCDAOC3PTPN11KDM4E

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 1/4885GLS 540/4885AOC3 2266/4885

“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.