SCHEMBL6041677

SCHEMBL6041677

O=C(O)N1CCC(c2ccc(OCCCOCc3ccccc3)nc2)C(O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.46
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
ENPP2 Q13822 1/20 0.39
TEAD3 Q99594 2/20 0.39
GBA1 P04062 2/20 0.37
UGCG Q16739 2/20 0.37
GBA2 Q9HCG7 2/20 0.37
JAK3 P52333 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GABRA5 P31644 1/20 0.35
APP P05067 1/20 0.35
SCN9A Q15858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6041658 0.92 CHRNB2 (0.45) CHRNB2CHRNA7CHRNA4ENPP2JAK3
SCHEMBL6043867 0.87 TEAD3 (0.38) RENENPP2TEAD3GBA1UGCG
SCHEMBL6041383 0.86 TEAD3 (0.36) ENPP2TEAD3GBA1UGCGGBA2
SCHEMBL6041364 0.86 KDM4E (0.46) RENSMN1; SMN2TP53NPC1RAB9A
SCHEMBL6041886 0.82 KDM4E (0.42) TEAD3GBA1UGCGGBA2SMN1; SMN2
SCHEMBL6042305 0.82 REN (0.68) REN
SCHEMBL12548335 0.80 GPR119 (0.47) CHRNB2CHRNA7CHRNA4GABRA5
SCHEMBL3069231 0.79 NPC1 (0.52) SMN1; SMN2TP53NPC1RAB9AKDM4E
SCHEMBL6954969 0.78 CHRNB2 (0.43) CHRNB2CHRNA7CHRNA4ENPP2JAK3
SCHEMBL6041867 0.78 KDM4E (0.38) NPC1RAB9AKDM4EALDH1A1

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 2 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
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 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 REN 1485/4885CHRNB2 47/4885CHRNA7 131/4885

“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.