SCHEMBL70358

SCHEMBL70358

O=C(NCC(=O)N1CCC(Oc2cncc(Cl)c2)CC1)c1cc(-c2cccc(F)c2)[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
MLNR O43193 2/20 0.38
EPHX2 P34913 1/20 0.37
P2RX7 Q99572 1/20 0.36
GSK3B P49841 1/20 0.36
SCD O00767 4/20 0.36
CNR1 P21554 3/20 0.36
KCNH2 Q12809 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL29384221 1.00 DYRK1A (0.39) DYRK1ACLK2CLK3MLNREPHX2
SCHEMBL29384551 0.91 EPHX2 (0.42) DYRK1AMLNREPHX2SCD
SCHEMBL70203 0.91 EPHX2 (0.42) DYRK1AMLNREPHX2SCD
SCHEMBL69306 0.91 SCD (0.41) EPHX2GSK3BSCDKCNH2
SCHEMBL29385665 0.91 SCD (0.41) EPHX2GSK3BSCDKCNH2
SCHEMBL70768 0.85 SCD5 (0.46) SCDKCNH2
SCHEMBL29384568 0.85 SCD5 (0.46) SCDKCNH2
SCHEMBL29385248 0.84 EPHX2 (0.44) MLNREPHX2SCDCNR1KCNH2
SCHEMBL70003 0.84 EPHX2 (0.44) MLNREPHX2SCDCNR1KCNH2
SCHEMBL69931 0.84 EPHX2 (0.47) EPHX2SCDCNR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP claimed
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 DYRK1A 4462/4885CLK2 2492/4885CLK3 3167/4885

“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.