SCHEMBL69013

SCHEMBL69013

CC(C)(C)OC(=O)NCC(=O)N1CCC(Nc2ccccc2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 2/20 0.54
MEN1 O00255 1/20 0.54
SIGMAR1 Q99720 3/20 0.53
EPHX2 P34913 1/20 0.49
FNTA P49354 2/20 0.47
FNTB P49356 2/20 0.47
PKM P14618 1/20 0.43
DRD2 P14416 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SCD O00767 1/20 0.42
BRD4 O60885 1/20 0.42
GAA P10253 1/20 0.42
MAPK8 P45983 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
SCHEMBL71088 0.83 ALDH1A1 (0.60) KMT2AALDH1A1MEN1PKMNPC1
SCHEMBL3009698 0.78 SIGMAR1 (0.45) KMT2AALDH1A1TSHRMEN1SIGMAR1
SCHEMBL8908861 0.78 SIGMAR1 (0.59) KMT2AALDH1A1TSHRMEN1SIGMAR1
SCHEMBL72136 0.77 KMT2A (0.59) KMT2ATSHRMEN1SIGMAR1EPHX2
SCHEMBL29382268 0.77 SMN1; SMN2 (0.56) KMT2AMEN1EPHX2DRD2NPC1
SCHEMBL68900 0.77 SMN1; SMN2 (0.56) KMT2AMEN1EPHX2DRD2NPC1
SCHEMBL22859866 0.76 KMT2A (0.45) KMT2AALDH1A1TSHRMEN1SIGMAR1
Hydrochloric Acid SCHEMBL69896 0.76 KMT2A (0.58) KMT2ATSHRMEN1SIGMAR1EPHX2
Hydrochloric Acid SCHEMBL70782 0.76 KMT2A (0.58) KMT2ATSHRMEN1SIGMAR1EPHX2
SCHEMBL8801990 0.75 BRD4 (0.43) KMT2AALDH1A1SIGMAR1PKMDRD2

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
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

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 KMT2A 1352/4885ALDH1A1 784/4885TSHR 4631/4885

“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.