SCHEMBL3229003

SCHEMBL3229003

N#Cc1ccc(N2CCC3(COc4ccccc43)C2)nn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.56
KCNJ1 P48048 3/20 0.41
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
IDO1 P14902 1/20 0.37
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
PANK3 Q9H999 9/20 0.33
AVPR1A P37288 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
SCHEMBL3229010 1.00 SCD (0.56) SCDKCNJ1TNKSTNKS2IDO1
SCHEMBL3222804 0.93 SCD (0.48) SCDKCNJ1TNKSTNKS2IDO1
SCHEMBL3222795 0.93 SCD (0.48) SCDKCNJ1TNKSTNKS2IDO1
SCHEMBL3226005 0.79 SCD (0.57) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3226001 0.79 SCD (0.57) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3259787 0.76 SCD (0.55) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3259786 0.76 SCD (0.55) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3227871 0.75 SCD (0.54) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3227873 0.75 SCD (0.54) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3232181 0.74 SCD (0.75) SCDTNKSTNKS2

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 1/4885KCNJ1 1855/4885TNKS 2988/4885

“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.