SCHEMBL3259787

SCHEMBL3259787

NC(=NO)c1ccc(N2CCC3(COc4ccccc43)C2)nn1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.55
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
IDO1 P14902 1/20 0.35
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
SCHEMBL3259786 1.00 SCD (0.55) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3260725 0.94 SCD (0.47) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3260728 0.94 SCD (0.47) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3226001 0.84 SCD (0.57) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3226005 0.84 SCD (0.57) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3263268 0.81 SCD (0.49) SCDTNKSTNKS2IDO1
SCHEMBL3227873 0.80 SCD (0.54) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3227871 0.80 SCD (0.54) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3226186 0.77 SCD (0.49) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3222592 0.77 SCD (0.49) SCDTNKSTNKS2IDO1AVPR1A

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 1/4885TNKS 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.