SCHEMBL3764385

SCHEMBL3764385

Cc1ccsc1C(=O)N1CCN(C(=O)C(N)=O)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
RAB9A P51151 1/20 0.50
SIGLEC9 Q9Y336 1/20 0.49
LMNA P02545 1/20 0.49
HTR1A P08908 1/20 0.42
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.39
GAA P10253 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
SCHEMBL3764389 0.81 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL324878 0.78 ALDH1A1 (0.63) CA12CA1CA2CA7CA9
SCHEMBL7094585 0.77 SIGLEC9 (0.56) CA12CA1CA2CA7CA9
SCHEMBL7094543 0.76 SIGLEC9 (0.55) CA12CA1CA2CA7CA9
SCHEMBL3757744 0.72 HTT (0.71) ALDH1A1
SCHEMBL4271969 0.72 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL9653903 0.71 SMN1; SMN2 (0.59) LMNAALDH1A1GLASMN1; SMN2KMT2A
SCHEMBL1373806 0.70
SCHEMBL26981190 0.70 SMN1; SMN2 (0.58) CA12CA1CA2CA7CA9
SCHEMBL3753870 0.70 LMNA (0.50) LMNAALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US claimed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO claimed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 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-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 CA12 4790/4885CA1 4566/4885CA2 3293/4885

“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.