SCHEMBL2820646

SCHEMBL2820646

O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TRPV1 Q8NER1 6/20 0.44
HPGDS O60760 1/20 0.43
SCD O00767 2/20 0.43
NPY2R P49146 2/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
RAB9A P51151 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
SCHEMBL2820795 0.89 PDGFRB (0.46) SMOSMN1; SMN2NPSR1TRPV1HPGDS
SCHEMBL223162 0.86 SMO (0.48) SMOSMN1; SMN2TRPV1HPGDSSCD
SCHEMBL2821972 0.86 TRPV1 (0.44) SMOTRPV1SCD
SCHEMBL2821695 0.81 HCRTR1 (0.50) SMOSMN1; SMN2SCD
SCHEMBL2822962 0.79 RAB9A (0.45) SMN1; SMN2NPSR1HPGDSSCDSCN9A
SCHEMBL2818785 0.78 SCD (0.49) TRPV1SCDNPY2R
SCHEMBL1222426 0.77 SCD (0.48) SMOSMN1; SMN2SCDRAB9A
SCHEMBL1221107 0.77 SCN5A (0.44) SMOSCDSCN5ASCN9A
SCHEMBL2825405 0.76 HCRTR1 (0.48) SCD
SCHEMBL2820773 0.76 HCRTR1 (0.48) SMN1; SMN2SCD

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 SMO 1071/4885SMN1; SMN2 4076/4885NPSR1 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.