SCHEMBL69174

SCHEMBL69174

O=C(O)CNC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.48
SPHK1 Q9NYA1 2/20 0.47
SMPD1 P17405 3/20 0.46
NR1H4 Q96RI1 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
PTPN1 P18031 1/20 0.45
NR4A2 P43354 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
GPR132 Q9UNW8 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PRKDC P78527 1/20 0.42
HDAC4 P56524 1/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL70239 0.88 JAK2 (0.47) SPHK2SPHK1SMPD1NR1H4MRGPRX4
SCHEMBL68122 0.85 MRGPRX4 (0.54) NR1H4MRGPRX4PTPN1NR4A2PIK3CD
SCHEMBL91498 0.84 PLA2G4B (0.47) SMPD1NR1H4NR4A2
SCHEMBL31130309 0.84 MRGPRX4 (0.47) SMPD1NR1H4MRGPRX4NR4A2PIK3CD
SCHEMBL69243 0.83 RAB9A (0.50) NPC1RAB9A
SCHEMBL70310 0.81 IDO1 (0.47) NPC1RAB9A
SCHEMBL69490 0.80 JAK2 (0.55) MRGPRX4NR4A2
SCHEMBL1221506 0.78 SCD (0.47) CYP2C9CYP2C19
SCHEMBL69761 0.78 SCD (0.42)
SCHEMBL71764 0.74 EGLN3 (0.49) HDAC4CYP1A2RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SPHK2 75/4885SPHK1 105/4885SMPD1 48/4885

“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.