SCHEMBL3757793

SCHEMBL3757793

NC(=O)C(=O)N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.61
ALDH1A1 P00352 3/20 0.59
USP2 O75604 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
BLM P54132 1/20 0.57
MAOB P27338 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
ACHE P22303 1/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 2/20 0.53
ALOX15 P16050 1/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL252026 0.86 HPGD (0.79) HPGDALDH1A1USP2CA12CA1
SCHEMBL7129676 0.86 HPGD (0.79) HPGDALDH1A1USP2CA12CA1
Hydrochloric Acid SCHEMBL1597472 0.84 HPGD (0.76) HPGDALDH1A1USP2CA12CA1
SCHEMBL3755571 0.82 CA12 (0.62) ALDH1A1CA12CA1CA2CA7
SCHEMBL17857846 0.81 BLM (0.62) HPGDALDH1A1USP2CA12CA1
SCHEMBL12528302 0.81 HPGD (0.66) HPGDALDH1A1USP2CA12CA1
SCHEMBL8225328 0.81 HPGD (0.66) HPGDALDH1A1USP2CA12CA1
SCHEMBL1938606 0.80 HPGD (0.70) HPGDALDH1A1USP2CA12CA1
SCHEMBL27989163 0.80 ALDH1A1 (0.85) HPGDALDH1A1USP2CA12CA1
SCHEMBL2614241 0.80 HPGD (0.84) HPGDALDH1A1USP2CA12CA1

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 HPGD 503/4885ALDH1A1 969/4885USP2 1123/4885

“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.