SCHEMBL1222261

SCHEMBL1222261

O=C(NCC(=O)N1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 4/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.44
ATM Q13315 1/20 0.44
ACLY P53396 1/20 0.43
HPGD P15428 2/20 0.42
P2RY12 Q9H244 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL1222192 0.94 SMN1; SMN2 (0.45) SMN1; SMN2KMT2ARAB9AMEN1ATM
SCHEMBL1221335 0.88 P2RX7 (0.51) SMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL1221361 0.88 SCN5A (0.52) SMN1; SMN2KMT2ARAB9AMEN1ATM
SCHEMBL1221694 0.87 KMT2A (0.48) SMN1; SMN2KMT2ARAB9AMEN1ATM
SCHEMBL1222114 0.85 LMNA (0.50) SMN1; SMN2KMT2ARAB9AMEN1MAPT
SCHEMBL1222290 0.85 RAB9A (0.51) SMN1; SMN2KMT2ARAB9AMEN1HIF1A
SCHEMBL1221825 0.85 KMT2A (0.57) SMN1; SMN2KMT2ARAB9AMEN1ATM
SCHEMBL1221397 0.84 MAPK8 (0.51) SMN1; SMN2KMT2ARAB9A
SCHEMBL1222405 0.83 KMT2A (0.48) SMN1; SMN2KMT2ARAB9AMEN1ATM
SCHEMBL1221214 0.82 KMT2A (0.49) SMN1; SMN2KMT2ARAB9AMEN1ATM

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
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO 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 (2 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-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SMN1; SMN2 4076/4885KMT2A 1389/4885RAB9A 4065/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SMN1; SMN2 4076/4885KMT2A 1389/4885RAB9A 4065/4885

“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.