SCHEMBL48764

SCHEMBL48764

Nc1ccc(N2CCOCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CNR2 P34972 6/20 0.53
ADK P55263 2/20 0.52
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51

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
SCHEMBL29536679 1.00 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL2744078 0.93 CNR2 (0.53) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL23246010 0.87 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL29618438 0.87 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL19998348 0.86 GRIN2D (0.59) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL29499599 0.86 GRIN2D (0.59) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL15651219 0.85 MAP4K4 (0.49) ALDH1A1HPGDHSD17B10KDM4ESMN1; SMN2
SCHEMBL241019 0.82 UBE2T (0.56) ALDH1A1HSD17B10KDM4ESMN1; SMN2MEN1
SCHEMBL940331 0.82 GRIN2D (0.56) ALDH1A1HSD17B10KDM4ESMN1; SMN2MEN1
SCHEMBL29377723 0.82 UBE2T (0.56) ALDH1A1HSD17B10KDM4ESMN1; SMN2MEN1

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 882 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119498317-A Bactericide and preparation method thereof 滨州乾坤化工机械有限公司 2025-02-25 CN claimed
CN-118598857-A Bactericide for oilfield fracturing acidification and preparation method and application thereof 胜利油田物华化工厂 2024-09-06 CN claimed
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 EP claimed
EP-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 EP claimed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 US claimed
US-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 US claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 US claimed
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2010-07-29 US claimed
US-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors BOLIN DAVID ROBERT 2010-07-01 US claimed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 EP claimed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 WO claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP claimed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 WO claimed
WO-2007097697-A1 THERAPEUTIC QUINOLINE COMPOUNDS THAT ARE 5HT1B MODULATORS ASTRAZENECA AB (SE) 2007-08-30 WO claimed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 WO claimed
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. 2007-05-31 US claimed
EP-1765815-A2 NEW COMPOUNDS USEFUL FOR TREATING CNS DISORDERS AstraZeneca AB (SE) 2007-03-28 EP claimed
WO-2006004507-A2 NEW BENZOTHIAZOLE DERIVATIVES USEFUL FOR TREATING CNS DISORDERS ASTRAZENECA AB (SE) 2006-01-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885HPGD 838/4885HSD17B10 162/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 ALDH1A1 1475/4885HPGD 3564/4885HSD17B10 2759/4885
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS ALDH1A1 614/4885HPGD 8/4885HSD17B10 2479/4885
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT ALDH1A1 573/4885HPGD 838/4885HSD17B10 162/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885HPGD 838/4885HSD17B10 162/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO ALDH1A1 2214/4885HPGD 3360/4885HSD17B10 2255/4885

“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.