SCHEMBL1222437

SCHEMBL1222437

O=C(NCC(=O)N1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.47
SCN9A Q15858 2/20 0.47
CCR2 P41597 5/20 0.45
SIGMAR1 Q99720 1/20 0.45
KMT2A Q03164 3/20 0.44
NAMPT P43490 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.44
SLC6A7 Q99884 2/20 0.44
HPGDS O60760 1/20 0.44
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
CHRM4 P08173 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TACR1 P25103 1/20 0.42

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
SCHEMBL1222665 0.88 SIGMAR1 (0.57) SIGMAR1KMT2ARAB9AMEN1SLC6A7
SCHEMBL1221914 0.84 MAPK8 (0.50) CCR2KMT2ARAB9AMEN1CHRM4
SCHEMBL1221347 0.84 KMT2A (0.62) KMT2ARAB9AMEN1SLC6A7TSHR
SCHEMBL1221214 0.83 KMT2A (0.49) KMT2ARAB9AMEN1SLC6A7TSHR
SCHEMBL1221609 0.82 SCD (0.49) CCR2SIGMAR1KMT2ARAB9ASLC6A7
SCHEMBL1222690 0.81 KMT2A (0.60) KMT2ARAB9AMEN1SLC6A7TSHR
SCHEMBL1222426 0.81 SCD (0.48) CCR2KMT2ARAB9AMEN1SLC6A7
SCHEMBL1221397 0.81 MAPK8 (0.51) CCR2SIGMAR1KMT2ARAB9ACHRM4
SCHEMBL1222385 0.80 KMT2A (0.48) KMT2ARAB9AMEN1SLC6A7SMN1; SMN2
SCHEMBL1222321 0.80 EPHX2 (0.45) KMT2ARAB9AMEN1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
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
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-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SCN5A 1485/4885SCN9A 4482/4885CCR2 1622/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SCN5A 1485/4885SCN9A 4482/4885CCR2 1622/4885

“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.