SCHEMBL10093050

SCHEMBL10093050

Cc1ccc(-c2ccc(Cl)cc2Cl)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.49
AHR P35869 1/20 0.48
NPC1 O15118 1/20 0.47
SRD5A2 P31213 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 5/20 0.43
PTGS1 P23219 2/20 0.43
ABCC4 O15439 1/20 0.43
ABCB11 O95342 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPK14 Q16539 1/20 0.43
KCNH2 Q12809 1/20 0.43
BRD4 O60885 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43

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
SCHEMBL10899210 0.81 AHR (0.52) HSD11B1AHRNPC1SRD5A2HSP90AA1
SCHEMBL4498898 0.79 MAP4K4 (0.57) AHRSRD5A2HSP90AA1HSP90AB1MEN1
SCHEMBL10264753 0.78 USP7 (0.50) HSD11B1NPC1KMT2ACNR2
SCHEMBL10900033 0.77 AHR (0.55) HSD11B1AHRNPC1SRD5A2HSP90AA1
SCHEMBL2757245 0.77 NPC1 (0.50) NPC1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4181890 0.75 PTGS2 (0.57) NPC1SMN1; SMN2PTGS2PTGS1ABCC4
SCHEMBL1045006 0.75 AHR (0.57) HSD11B1AHRSRD5A2HSP90AA1HSP90AB1
SCHEMBL4781819 0.75 MAP4K4 (0.59) SRD5A2PTGS2MARS1
SCHEMBL16917006 0.75 PTGS2 (0.70) PTGS2PTGS1ABCC4ABCB11PDE4D
SCHEMBL14163957 0.75 PTGS2 (0.70) PTGS2PTGS1ABCC4ABCB11PDE4D

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-8114866-B2 Derivatives of 1-piperazine- and 1-homopiperazine-carboxylates, preparation method thereof and use of same as inhibitors of the FAAH enzyme SANOFI-AVENTIS (FR) 2012-02-14 US disclosed
US-8114866-B2 Derivatives of 1-piperazine- and 1-homopiperazine-carboxylates, preparation method thereof and use of same as inhibitors of the FAAH enzyme SANOFI-AVENTIS (FR) 2012-02-14 US disclosed
US-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI-EVENTIS (FR) 2010-06-03 US disclosed
US-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI-EVENTIS (FR) 2010-06-03 US disclosed
US-7687503-B2 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders SANOFI-AVENTIS (FR) 2010-03-30 US disclosed
US-7687503-B2 2-(methylamino)-2-oxoethyl 4-{5-[3-(trifluoromethyl)-phenyl]-2-pyridyl}-1-piperazinecarboxylate, for example; enzyme inhibitors of fatty acid amide hydrolases; treatment of pain, eating disorders, neurological and psychiatric pathologies, among other disorders SANOFI-AVENTIS (FR) 2010-03-30 US disclosed
EP-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP 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-20100137329-A1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME FAAH, FAAH2, CNR1 HSD11B1 1101/4885AHR 322/4885NPC1 2292/4885

“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.