SCHEMBL6041409

SCHEMBL6041409

O=C(O)N1CCC(c2ncc(OCc3ccccc3)cn2)C(O)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
S1PR5 Q9H228 1/20 0.44
P4HTM Q9NXG6 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GPR119 Q8TDV5 1/20 0.42
ALKBH1 Q13686 5/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SLC6A7 Q99884 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6041886 0.92 KDM4E (0.42) SMN1; SMN2TP53NPC1RAB9AS1PR5
SCHEMBL1447818 0.86 GPR119 (0.58) GPR119
SCHEMBL3069231 0.86 NPC1 (0.52) SMN1; SMN2TP53NPC1RAB9AS1PR5
SCHEMBL6043234 0.81 SLC18A3 (0.32)
SCHEMBL6041658 0.80 CHRNB2 (0.45) SMN1; SMN2TP53NPC1RAB9A
SCHEMBL6954272 0.78 GPR119 (0.45) NPC1RAB9AKDM4EGPR119ALKBH1
SCHEMBL6041364 0.78 KDM4E (0.46) SMN1; SMN2TP53NPC1RAB9AS1PR5
SCHEMBL21557881 0.76 SLC6A7 (0.52) NPC1RAB9AP4HTMKDM4EGPR119
SCHEMBL6041847 0.76 REN (0.44) SMN1; SMN2TP53NPC1RAB9AS1PR5
SCHEMBL16874657 0.75 KDM1A (0.49) SMN1; SMN2TP53NPC1RAB9AS1PR5

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-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US 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 SMN1; SMN2 1096/4885TP53 2505/4885NPC1 418/4885

“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.