SCHEMBL3603552

SCHEMBL3603552

CC1(C)OB(c2ccc(N3CCC(O[Si](C)(C)C(C)(C)C)CC3)nc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
HRH3 Q9Y5N1 14/20 0.38
DGAT1 O75907 2/20 0.38
MAPT P10636 1/20 0.34

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
SCHEMBL13547455 0.89 USP30 (0.40) USP30HRH3DGAT1
SCHEMBL24846892 0.84 USP30 (0.39) USP30HRH3DGAT1MAPT
SCHEMBL30180049 0.84 USP30 (0.39) USP30HRH3DGAT1MAPT
SCHEMBL27007425 0.84 LPL (0.35) USP30HRH3DGAT1
SCHEMBL9946217 0.81 MAPT (0.51) USP30HRH3DGAT1MAPT
SCHEMBL31239335 0.81 ADRA1A (0.42) USP30HRH3DGAT1
SCHEMBL34470559 0.81 ADRA1A (0.42) USP30HRH3DGAT1
SCHEMBL586737 0.80 HRH3 (0.46) USP30HRH3
SCHEMBL2119982 0.80 USP30 (0.41) USP30HRH3DGAT1MAPT
SCHEMBL30376628 0.80 USP30 (0.41) USP30HRH3DGAT1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
EP-2076509-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-07-08 EP disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 WO 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 USP30 3806/4885HRH3 4665/4885DGAT1 23/4885

“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.