SCHEMBL3916037

SCHEMBL3916037

COCOCc1ccc(CO)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.34
FYN P06241 7/20 0.33
PDE1B Q01064 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
HSD17B10 Q99714 1/20 0.32
PDGFRB P09619 1/20 0.31
PDGFRA P16234 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
SCHEMBL3913707 0.83 PDE1B (0.33) PDE1BPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL5031810 0.81 HRH3 (0.34) NPC1POLBRAB9APDE1BPIK3CD
SCHEMBL23308884 0.76 PIK3CD (0.37) POLBRAB9AFYNPIK3CDPIK3CA
SCHEMBL3864978 0.76 PPARG (0.38) NPC1POLBRAB9APDE1B
SCHEMBL16422702 0.75 ALDH1A1 (0.44) NPC1POLBRAB9A
SCHEMBL16892170 0.75 NPC1 (0.41) NPC1POLBRAB9ACYSLTR1PIK3CD
SCHEMBL4140258 0.73 CCR1 (0.41) NPC1POLBRAB9ACYSLTR1FYN
SCHEMBL20302030 0.73 HRH3 (0.33)
SCHEMBL1373687 0.72 HRH3 (0.42) NPC1POLBRAB9ACYSLTR1HSD17B10
SCHEMBL2881587 0.72 NPC1 (0.37) NPC1POLBRAB9ACYSLTR1FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547700-B2 Aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2009-06-16 US disclosed
US-7547700-B2 Aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2009-06-16 US disclosed
US-7547700-B2 Aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2009-06-16 US disclosed
EP-1539738-B1 NOVEL ARYL- 4-HALO-4- HETEROARYLMETHYLAMINO)-METHYL -PIPERIDIN-1-YL -METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PF MEDICAMENT (FR) 2009-03-04 EP disclosed
EP-1539738-B1 NOVEL ARYL- 4-HALO-4- HETEROARYLMETHYLAMINO)-METHYL -PIPERIDIN-1-YL -METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PF MEDICAMENT (FR) 2009-03-04 EP disclosed
US-20060100244-A1 Novel aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments PIERRE FABRE MEDICAMENT (FR) 2006-05-11 US disclosed
EP-1539738-A1 NOVEL ARYL- 4-HALO-4- HETEROARYLMETHYLAMINO)-METHYL]-PIPERIDIN-1-YL -METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2005-06-15 EP disclosed
WO-2003106449-A1 NOVEL ARYL-{4-HALO-4-[HETEROARYLMETHYLAMINO)-METHYL]-PIPERIDIN-1-YL}-METHANONE DERIVATIVES, METHODS FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 2003-12-24 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 (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-20060100244-A1 Novel aryl-[4-halo-4(heteroarylmethylamino)-methyl]-piperidin-1-1yl]-methanone derivatives, methods for production and use thereof as medicaments CYP4B1, CYP4X1, CYP2E1 NPC1 468/4885POLB 1909/4885RAB9A 4098/4885

“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.