SCHEMBL3764261

SCHEMBL3764261

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.45
CPS1 P31327 2/20 0.44
DPP4 P27487 8/20 0.42
CYP3A4 P08684 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
DPP9 Q86TI2 1/20 0.39
PARP1 P09874 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
SCHEMBL3759008 0.88 HPGD (0.52) HPGDTSHRMAPTCPS1SMN1; SMN2
SCHEMBL3759056 0.83 HDAC8 (0.53) TSHRDPP4CYP3A4KDM4EPARP1
SCHEMBL3757028 0.82 HPGD (0.56) HPGDTSHRMAPTSMN1; SMN2KDM4E
SCHEMBL3753422 0.79 TSHR (0.68) TSHRMAPTSMN1; SMN2KDM4E
SCHEMBL3764255 0.79 HPGD (0.47) HPGDTSHRMAPTCPS1DPP4
SCHEMBL3753660 0.79 EPHX2 (0.52) TSHRDPP4CYP3A4
SCHEMBL2820382 0.77 SERPINE1 (0.47) DPP4CYP3A4SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL2818775 0.76 SERPINE1 (0.46) DPP4CYP3A4SMN1; SMN2KDM4E
SCHEMBL3764229 0.75 HCRTR1 (0.44) SMN1; SMN2KDM4E
SCHEMBL12882367 0.75 HCRTR1 (0.47) HPGDCYP3A4KDM4E

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.