SCHEMBL3225964

SCHEMBL3225964

O=C(Nc1ccccc1)c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.49
HSD11B1 P28845 1/20 0.43
SCN9A Q15858 1/20 0.40
MCHR2 Q969V1 1/20 0.40
AOC3 Q16853 1/20 0.39
OXTR P30559 1/20 0.39

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
SCHEMBL3225971 1.00 SCD (0.49) SCDHSD11B1SCN9AMCHR2AOC3
SCHEMBL3231954 0.93 SCD (0.43) SCDHSD11B1SCN9AMCHR2AOC3
SCHEMBL3231947 0.93 SCD (0.43) SCDHSD11B1SCN9AMCHR2AOC3
SCHEMBL3222234 0.90 SCD (0.44) SCDHSD11B1
SCHEMBL3222239 0.90 SCD (0.44) SCDHSD11B1
SCHEMBL3225795 0.87 SCD (0.46) SCDHSD11B1AOC3OXTR
SCHEMBL3225799 0.87 SCD (0.46) SCDHSD11B1AOC3OXTR
SCHEMBL3230328 0.86 HSD11B1 (0.43) SCDHSD11B1SCN9AAOC3
SCHEMBL3230333 0.86 HSD11B1 (0.43) SCDHSD11B1SCN9AAOC3
SCHEMBL3220416 0.86 NPC1 (0.48) MCHR2

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 1/4885HSD11B1 9/4885SCN9A 810/4885

“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.