SCHEMBL2945643

SCHEMBL2945643

COC(=O)c1cnc(N2CCC(O)C2)s1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
TMPRSS15 P98073 8/20 0.51
CRBN Q96SW2 1/20 0.49
ABCC2 Q92887 1/20 0.46
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL22042058 1.00 HRH3 (0.55) HRH3TMPRSS15CRBNABCC2HDAC3
SCHEMBL22042057 0.86 ABCC2 (0.46) TMPRSS15ABCC2
SCHEMBL22042056 0.86 ABCC2 (0.46) TMPRSS15ABCC2
SCHEMBL3281502 0.83 HRH3 (0.59) HRH3TMPRSS15CRBNHDAC3HDAC4
SCHEMBL13248235 0.82 HRH3 (0.51) HRH3TMPRSS15CRBNABCC2HDAC3
Hydrochloric Acid SCHEMBL3107448 0.81 HRH3 (0.50) HRH3TMPRSS15CRBNABCC2
Hydrochloric Acid SCHEMBL15121852 0.81 HRH3 (0.50) HRH3TMPRSS15CRBNABCC2
SCHEMBL14164261 0.80 HRH3 (0.56) HRH3TMPRSS15CRBNHDAC3HDAC4
SCHEMBL20176409 0.79 HRH3 (0.57) HRH3TMPRSS15CRBNHDAC3HDAC4
SCHEMBL24183659 0.79 HRH3 (0.69) HRH3TMPRSS15CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020114465-A1 PREPARATION AND APPLICATION OF HETEROAROMATIC IMINAZOLE COMPOUND 上海轶诺药业有限公司 2020-06-11 WO disclosed
US-7754745-B2 Azacyclopentane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2010-07-13 US disclosed
US-20090093527-A1 Azacyclopentane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-04-09 US disclosed
EP-2032570-A1 AZACYCLOPENTANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-03-11 EP disclosed
WO-2007143824-A1 AZACYCLOPENTANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-12-21 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-20090093527-A1 Azacyclopentane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase SCD, SCD5, SREBF1 HRH3 4717/4885TMPRSS15 1403/4885CRBN 4595/4885

“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.