SCHEMBL3759006

SCHEMBL3759006

NC(=O)C(=O)N1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
TSHR P16473 3/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
CPS1 P31327 2/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 2/20 0.38

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
SCHEMBL3757025 0.91 HPGD (0.57) HPGDTSHRMAPTSMN1; SMN2USP2
SCHEMBL3764255 0.88 HPGD (0.47) HPGDTSHRMAPTSMN1; SMN2CPS1
SCHEMBL3759008 0.81 HPGD (0.52) HPGDTSHRMAPTSMN1; SMN2CPS1
SCHEMBL2820347 0.78 LMNA (0.50) HPGDTSHRMAPTSMN1; SMN2USP2
SCHEMBL3768543 0.78 P2RX7 (0.59) ALDH1A1NPC1
SCHEMBL3759053 0.78 HDAC8 (0.51) TSHRSMN1; SMN2USP2ALDH1A1L3MBTL1
SCHEMBL3763132 0.75 TP53 (0.68) TSHRSMN1; SMN2ALDH1A1
SCHEMBL3753419 0.74 TSHR (0.65) HPGDTSHRMAPTSMN1; SMN2USP2
SCHEMBL3762762 0.74 RAB9A (0.65) HPGDALDH1A1HTTPOLB
SCHEMBL3753656 0.73 EPHX2 (0.53) TSHRALDH1A1

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 HPGD 503/4885TSHR 4601/4885MAPT 3595/4885

“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.