SCHEMBL3759053

SCHEMBL3759053

NC(=O)C(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.51
PARP1 P09874 5/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 1/20 0.42

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
SCHEMBL2820347 0.85 LMNA (0.50) HDAC8KDM4ETSHRUSP2SMN1; SMN2
SCHEMBL3764223 0.85 HCRTR1 (0.45) HDAC8KDM4EALDH1A1USP2MAPK1
SCHEMBL3753656 0.83 EPHX2 (0.53) TSHRALDH1A1MEN1KMT2AMAPK1
SCHEMBL2820773 0.83 HCRTR1 (0.48) KDM4EUSP2MAPK1SMN1; SMN2
SCHEMBL3085217 0.83 CES2 (0.52) HDAC8PARP1CES2CES1KDM4E
SCHEMBL3764255 0.83 HPGD (0.47) PARP1KDM4ETSHRMEN1KMT2A
SCHEMBL3768543 0.82 P2RX7 (0.59) ALDH1A1MEN1KMT2A
SCHEMBL3753419 0.81 TSHR (0.65) KDM4ETSHRALDH1A1L3MBTL1MEN1
SCHEMBL3089158 0.81 HDAC8 (0.50) HDAC8PARP1CES2CES1KDM4E
SCHEMBL29944128 0.81 TSHR (0.62) HDAC8CES2CES1TSHRALDH1A1

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
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
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 HDAC8 260/4885PARP1 1257/4885CES2 283/4885

“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.