SCHEMBL3215899

SCHEMBL3215899

O=C(NCc1cccc(N2CCOCC2)n1)c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.47
CNR2 P34972 1/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
DCTPP1 Q9H773 2/20 0.38
ADORA2A P29274 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3215906 1.00 SCD (0.47) SCDCNR2KLKB1KLK1DCTPP1
SCHEMBL3229465 0.85 SCD (0.47) SCDDCTPP1KDM4EHSD17B10
SCHEMBL3229461 0.85 SCD (0.47) SCDDCTPP1KDM4EHSD17B10
SCHEMBL3217042 0.83 SMN1; SMN2 (0.48) SCDKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3217035 0.83 SMN1; SMN2 (0.48) SCDKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3231697 0.82 DCTPP1 (0.52) SCDDCTPP1
SCHEMBL3231690 0.82 DCTPP1 (0.52) SCDDCTPP1
SCHEMBL3230776 0.82 HTT (0.47) SCDKDM4EALDH1A1
SCHEMBL3230785 0.82 HTT (0.47) SCDKDM4EALDH1A1
SCHEMBL3224714 0.81 SCD (0.47) 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 1/4885CNR2 1049/4885KLKB1 2433/4885

“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.