SCHEMBL2818668

SCHEMBL2818668

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.45
RORC P51449 1/20 0.45
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR2B P41595 1/20 0.42
MAPK14 Q16539 1/20 0.42
PTGES O14684 1/20 0.42
NAMPT P43490 1/20 0.41
CPS1 P31327 4/20 0.40
USP30 Q70CQ3 1/20 0.40
MGLL Q99685 1/20 0.40
TACR1 P25103 1/20 0.40
POLB P06746 1/20 0.40
NPY2R P49146 1/20 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
SCHEMBL13261171 0.81 RORC (0.47) RORCCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL25933 0.81 POLB (0.58) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL2819354 0.81 CYP2C9 (0.44) HCRTR1HCRTR2CYP2C9CYP2C19HTR2B
SCHEMBL13282181 0.80 MGLL (0.44) HCRTR1HCRTR2CYP2C9CYP2C19HTR2B
SCHEMBL2819356 0.80 CYP2C9 (0.46) HCRTR1HCRTR2CYP2C9CYP2C19HTR2B
SCHEMBL7934516 0.79 NPY2R (0.46) RORCCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL29242109 0.76 NAMPT (0.59) RORCPTGESNAMPTUSP30TACR1
SCHEMBL13287245 0.76 SLC6A2 (0.46) CYP2C9CYP2C19HTR2BMAPK14MGLL
SCHEMBL1395236 0.76 RBP4 (0.52) RORCNAMPTUSP30
SCHEMBL17502962 0.76 RBP4 (0.52) RORCNAMPTUSP30

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 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

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 SPR 119/4885RORC 1418/4885HCRTR1 3143/4885

“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.