SCHEMBL2819356

SCHEMBL2819356

CC1CN(C(=O)CN)CC(C)N1C(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 1/20 0.46
MAPK14 Q16539 1/20 0.46
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MGLL Q99685 1/20 0.41
CCR5 P51681 1/20 0.41
SCD O00767 3/20 0.39
CPS1 P31327 4/20 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
SCHEMBL2819354 0.84 CYP2C9 (0.44) CYP2C9CYP2C19HTR2BMAPK14HCRTR1
SCHEMBL13282181 0.81 MGLL (0.44) CYP2C9CYP2C19HTR2BMAPK14HCRTR1
SCHEMBL2818668 0.80 SPR (0.45) CYP2C9CYP2C19HTR2BMAPK14HCRTR1
SCHEMBL1221946 0.79 CYP2C9 (0.57) CYP2C9CYP2C19HTR2BMAPK14MGLL
Hydrochloric Acid SCHEMBL1221556 0.78 CYP2C9 (0.56) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL13287245 0.77 SLC6A2 (0.46) CYP2C9CYP2C19HTR2BMAPK14MGLL
Hydrochloric Acid SCHEMBL2820762 0.76 SLC6A2 (0.45) CYP2C9CYP2C19HTR2BMAPK14MGLL
Trifluoroacetic Acid SCHEMBL1222403 0.75 CYP2C9 (0.56) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL27633969 0.72 TRPV1 (0.43) CYP2C9CYP2C19HCRTR1HCRTR2SCD
SCHEMBL939432 0.71 SCD (0.52) SCD

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 4 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
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 CYP2C9 3031/4885CYP2C19 3176/4885HTR2B 4169/4885

“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.