SCHEMBL6043356

SCHEMBL6043356

O=C1c2ccccc2C(=O)N1CCc1ccc(-c2ccccc2)cn1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.61
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
PKM P14618 1/20 0.48
CASP3 P42574 1/20 0.48
GRM5 P41594 1/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE10A Q9Y233 3/20 0.46
GLS O94925 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 1/20 0.44
CREBBP Q92793 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
SCHEMBL3430183 0.81 HSD17B10 (0.63) HSD17B10LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3281437 0.76 HSD17B10 (1.00) HSD17B10ALDH1A1PKMCASP3GRM5
SCHEMBL6789096 0.73 TDP1 (0.55) HSD17B10SMN1; SMN2L3MBTL1ALDH1A1PKM
SCHEMBL7555289 0.72 MEN1 (0.57) HSD17B10SMN1; SMN2L3MBTL1MAPTMEN1
SCHEMBL23027822 0.71 LMNA (0.83) HSD17B10LMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL7556061 0.71 TDP1 (0.60) HSD17B10SMN1; SMN2L3MBTL1MAPTGLS
SCHEMBL14293898 0.71 PDE10A (0.50) HSD17B10LMNASMN1; SMN2L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL9461452 0.71 PDE10A (0.50) HSD17B10LMNASMN1; SMN2L3MBTL1CASP3
SCHEMBL4905018 0.71 HPGD (0.74) HSD17B10SMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL1786217 0.71 HSD17B10 (0.62) HSD17B10LMNASMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 HSD17B10 2785/4885LMNA 380/4885SMN1; SMN2 1096/4885

“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.