SCHEMBL3764255

SCHEMBL3764255

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
TSHR P16473 3/20 0.46
MAPT P10636 1/20 0.46
CPS1 P31327 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.40
CNR1 P21554 5/20 0.40
PARP1 P09874 1/20 0.40
DPP4 P27487 1/20 0.39
MGLL Q99685 1/20 0.39
HTT P42858 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
SCHEMBL3759006 0.88 HPGD (0.54) HPGDTSHRMAPTCPS1SMN1; SMN2
SCHEMBL3759053 0.83 HDAC8 (0.51) TSHRSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3757025 0.81 HPGD (0.57) HPGDTSHRMAPTSMN1; SMN2MEN1
SCHEMBL3753419 0.79 TSHR (0.65) HPGDTSHRMAPTSMN1; SMN2MEN1
SCHEMBL3764261 0.79 HPGD (0.46) HPGDTSHRMAPTCPS1SMN1; SMN2
SCHEMBL3753656 0.78 EPHX2 (0.53) TSHRMEN1KMT2A
SCHEMBL2820380 0.77 KMT2A (0.50) HPGDTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL3764223 0.74 HCRTR1 (0.45) SMN1; SMN2KDM4E
SCHEMBL2820347 0.74 LMNA (0.50) HPGDTSHRMAPTSMN1; SMN2KDM4E
SCHEMBL3768543 0.74 P2RX7 (0.59) MEN1KMT2A

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.