SCHEMBL2529239

SCHEMBL2529239

O=C(CC(=O)N1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1)Nc1ccc(-c2ncon2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
EPHX2 P34913 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
TTK P33981 1/20 0.36
GRIN2B Q13224 1/20 0.36
LMNA P02545 1/20 0.35
PTPN1 P18031 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL223301 0.82 MEN1 (0.47) HPGDTSHRMEN1KMT2AALDH1A1
SCHEMBL2526468 0.80 KMT2A (0.42) L3MBTL1HPGDTSHRMEN1KMT2A
SCHEMBL2740487 0.80 MAPT (0.52) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL222665 0.79 SCD (0.46)
SCHEMBL224151 0.77 WNT3A (0.45) LMNAPTPN1SMN1; SMN2
SCHEMBL222965 0.73 ALDH1A1 (0.48) TSHRMEN1KMT2AALDH1A1GRIN2B
SCHEMBL68559 0.70 SCD (0.51)
SCHEMBL13094306 0.70 TP53 (0.45) L3MBTL1MEN1KMT2AALDH1A1GAA
SCHEMBL224387 0.69 SERPINE1 (0.46) TSHRMEN1KMT2AALDH1A1KDM4E
SCHEMBL224366 0.69 MEN1 (0.60) HPGDMEN1KMT2AEPHX2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 US claimed
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 US disclosed
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 US disclosed
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 US disclosed
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 US disclosed
WO-2009117659-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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 (2 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-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 L3MBTL1 4330/4885HPGD 503/4885TSHR 4601/4885
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 L3MBTL1 4330/4885HPGD 503/4885TSHR 4601/4885

“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.