SCHEMBL3227873

SCHEMBL3227873

COC(=O)c1ccc(N2CCC3(COc4ccccc43)C2)nn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.54
CRBN Q96SW2 6/20 0.43
DDB1 Q16531 2/20 0.42
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
IDO1 P14902 1/20 0.40
NPY5R Q15761 1/20 0.35
AVPR1A P37288 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL3227871 1.00 SCD (0.54) SCDCRBNDDB1TNKSTNKS2
SCHEMBL3216390 0.94 SCD (0.46) SCDCRBNTNKSTNKS2IDO1
SCHEMBL3216383 0.94 SCD (0.46) SCDCRBNTNKSTNKS2IDO1
SCHEMBL3226005 0.87 SCD (0.57) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3226001 0.87 SCD (0.57) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3222592 0.81 SCD (0.49) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3226186 0.81 SCD (0.49) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3259787 0.80 SCD (0.55) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3259786 0.80 SCD (0.55) SCDTNKSTNKS2IDO1AVPR1A
SCHEMBL3229299 0.76 SCD (0.68) SCDTNKSTNKS2IDO1

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 1/4885CRBN 3212/4885DDB1 1722/4885

“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.