SCHEMBL83343

SCHEMBL83343

[C-]#[N+]c1ccc(C)c(OC2CN(C(=O)CNC(=O)c3cn(-c4cccnc4)nn3)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.38
ACKR3 P25106 4/20 0.34
USP30 Q70CQ3 2/20 0.34
RIPK2 O43353 1/20 0.34
DDT P30046 1/20 0.33
SCD O00767 1/20 0.33
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RIPK1 Q13546 1/20 0.31
P2RY12 Q9H244 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL70558 0.87 USP30 (0.45) MIFACKR3USP30RIPK2DDT
SCHEMBL29385597 0.87 USP30 (0.45) MIFACKR3USP30RIPK2DDT
SCHEMBL70138 0.81 SCD (0.47) USP30SCDRIPK1
SCHEMBL29385002 0.81 SCD (0.47) USP30SCDRIPK1
SCHEMBL70155 0.79 USP30 (0.44) MIFUSP30SCD
SCHEMBL29384706 0.79 USP30 (0.44) MIFUSP30SCD
SCHEMBL70855 0.75 SCD (0.52) SCDRIPK1
SCHEMBL29382362 0.75 SCD (0.52) SCDRIPK1
SCHEMBL71638 0.75 DDT (0.40) USP30DDTCYP1A2
SCHEMBL29384846 0.75 DDT (0.40) USP30DDTCYP1A2

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
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 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 MIF 4662/4885ACKR3 3812/4885USP30 1476/4885

“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.