SCHEMBL3225972

SCHEMBL3225972

Cc1nsc(-c2ccc(N3CCC4(CC3)COc3ccccc34)nn2)n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.51
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CNR2 P34972 1/20 0.35
IDO1 P14902 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KLF5 Q13887 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
SCHEMBL3233088 0.94 SCD (0.58) SCDTNKSTNKS2CNR2IDO1
SCHEMBL3221535 0.81 SCD (0.66) SCDTNKSTNKS2IDO1
SCHEMBL3223912 0.79 SCD (0.49) SCDCNR2
SCHEMBL3224305 0.79 SCD (0.56) SCDTNKSTNKS2CNR2MEN1
SCHEMBL3224145 0.78 SCD (0.56) SCD
SCHEMBL3232416 0.78 SCD (0.54) SCD
SCHEMBL3231858 0.78 SCD (0.54) SCDCNR2
SCHEMBL3217165 0.78 SCD (0.54) SCD
SCHEMBL3233550 0.77 SCD (0.51) SCDCNR2NPC1RAB9AMEN1
SCHEMBL3224225 0.76 SCD (0.49) SCDTNKSTNKS2CNR2IDO1

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 4 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 claimed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US claimed
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 1/4885TNKS 2988/4885TNKS2 3039/4885

“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.