SCHEMBL3759056

SCHEMBL3759056

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.53
PARP1 P09874 4/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
CYP3A4 P08684 1/20 0.43
DPP4 P27487 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
SCHEMBL2820349 0.86 SCN5A (0.50) HDAC8KDM4ETSHR
SCHEMBL3764229 0.86 HCRTR1 (0.44) HDAC8KDM4EALDH1A1
SCHEMBL12882367 0.86 HCRTR1 (0.47) KDM4EALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL2818341 0.85 SCN5A (0.49) HDAC8KDM4ETSHR
SCHEMBL1222670 0.83 SCD (0.48) HDAC8KDM4E
SCHEMBL3753660 0.83 EPHX2 (0.52) HDAC8TSHRALDH1A1CYP3A4DPP4
SCHEMBL3764261 0.83 HPGD (0.46) PARP1KDM4ETSHRCYP3A4DPP4
SCHEMBL3768547 0.83 P2RX7 (0.57) ALDH1A1
Hydrochloric Acid SCHEMBL1221321 0.82 SCD (0.48) HDAC8KDM4E
SCHEMBL3753422 0.82 TSHR (0.68) KDM4ETSHRALDH1A1L3MBTL1

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 4 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

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.