SCHEMBL3757672

SCHEMBL3757672

NC(=O)C(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 1/20 0.59
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 1/20 0.57
KMT2A Q03164 2/20 0.51
TSHR P16473 3/20 0.51
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
PKM P14618 1/20 0.45
PKLR P30613 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EPHX2 P34913 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
SCHEMBL3761410 0.87 LMNA (0.51) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL3761190 0.85 LMNA (0.47) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL3753419 0.82 TSHR (0.65) LMNACYP2C9CYP2C19HTTALDH1A1
SCHEMBL14103288 0.80 LMNA (1.00) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL3758796 0.80 NPC1 (0.65) LMNAALDH1A1KDM4EKMT2ATSHR
SCHEMBL18713064 0.79 LMNA (0.71) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL18390530 0.79 LMNA (0.71) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL24016846 0.79 LMNA (0.96) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL3757675 0.79 LMNA (0.65) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL937500 0.76 LMNA (0.71) LMNACYP1A2CYP2C9CYP2C19HTT

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 LMNA 2028/4885CYP1A2 1016/4885CYP2C9 3031/4885

“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.