SCHEMBL2820380

SCHEMBL2820380

NC(=O)C(=O)N1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
SERPINE1 P05121 1/20 0.49
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HSD11B1 P28845 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TACR3 P29371 1/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 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
SCHEMBL26701682 0.80 KDM4E (0.58) KMT2AMEN1SERPINE1CES2CES1
SCHEMBL2820382 0.79 SERPINE1 (0.47) KMT2AMEN1SERPINE1CES2CES1
SCHEMBL3755571 0.78 CA12 (0.62) KMT2AMEN1KDM4ESMN1; SMN2HSD11B1
SCHEMBL3765303 0.78 HSD11B1 (0.46) SERPINE1KDM4EHSD11B1ALDH1A1CA12
Hydrochloric Acid SCHEMBL2818775 0.78 SERPINE1 (0.46) KMT2AMEN1SERPINE1CES2CES1
SCHEMBL3764255 0.77 HPGD (0.47) KMT2AMEN1KDM4ESMN1; SMN2HPGD
SCHEMBL3764926 0.76 HIF1A (0.48) KMT2AMEN1SMN1; SMN2HSD17B10LMNA
SCHEMBL226167 0.76 SIGMAR1 (0.56) KMT2AMEN1SERPINE1CES2CES1
SCHEMBL3761190 0.75 LMNA (0.47) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL224420 0.75 SIGMAR1 (0.54) KMT2AMEN1SERPINE1CES2CES1

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 9 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
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 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
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 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 (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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 KMT2A 1389/4885MEN1 4883/4885SERPINE1 2970/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 KMT2A 1389/4885MEN1 4883/4885SERPINE1 2970/4885

“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.