SCHEMBL2820795

SCHEMBL2820795

O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.46
SLC1A2 P43004 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SMO Q99835 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
HPGDS O60760 1/20 0.41
SCD O00767 2/20 0.41
NPY2R P49146 2/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
TLR8 Q9NR97 1/20 0.40

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
SCHEMBL2820646 0.89 SMO (0.49) NPSR1SMN1; SMN2SMOIDO1TDO2
SCHEMBL2821972 0.79 TRPV1 (0.44) SMOSCDTRPV1
SCHEMBL2821695 0.78 HCRTR1 (0.50) SMN1; SMN2SMOSCD
SCHEMBL2822962 0.77 RAB9A (0.45) NPSR1SMN1; SMN2HPGDSSCDSCN9A
SCHEMBL223162 0.75 SMO (0.48) SMN1; SMN2SMOHPGDSSCDNPY2R
SCHEMBL2820773 0.74 HCRTR1 (0.48) SMN1; SMN2SCD
SCHEMBL2825405 0.74 HCRTR1 (0.48) SCD
SCHEMBL2823004 0.73 RAB9A (0.42) NPSR1SMN1; SMN2HPGDSSCDNPY2R
SCHEMBL28765880 0.72 HCRTR1 (0.43) SMN1; SMN2SCD
SCHEMBL2818785 0.71 SCD (0.49) SCDNPY2RTRPV1

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
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US claimed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PDGFRB 1476/4885SLC1A2 3783/4885NPSR1 3073/4885

“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.