SCHEMBL13282181

SCHEMBL13282181

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.44
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44
MAPK14 Q16539 1/20 0.44
P2RX7 Q99572 3/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
SCD O00767 2/20 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
SCHEMBL2819354 0.84 CYP2C9 (0.44) MGLLHCRTR1HCRTR2CYP2C9CYP2C19
SCHEMBL13287245 0.82 SLC6A2 (0.46) MGLLCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL2819356 0.81 CYP2C9 (0.46) MGLLHCRTR1HCRTR2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2820762 0.81 SLC6A2 (0.45) MGLLCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL2818668 0.80 SPR (0.45) MGLLHCRTR1HCRTR2CYP2C9CYP2C19
SCHEMBL27633969 0.77 TRPV1 (0.43) HCRTR1HCRTR2CYP2C9CYP2C19P2RX7
SCHEMBL939432 0.75 SCD (0.52) SCD
SCHEMBL12894564 0.74 SCD (0.59) MGLLCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4635407 0.69 CYP2C9 (0.52) MGLLCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL13983799 0.68 SCD (0.62) MGLLCYP2C9CYP2C19HTR2BMAPK14

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 2 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 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 MGLL 155/4885HCRTR1 3143/4885HCRTR2 2361/4885

“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.