SCHEMBL6043867

SCHEMBL6043867

O=C(O)N1CCC(c2ccc(CCCOCc3ccccc3)nc2)C(O)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.38
GBA1 P04062 3/20 0.37
UGCG Q16739 3/20 0.37
GBA2 Q9HCG7 3/20 0.37
MCHR1 Q99705 2/20 0.36
ENPP2 Q13822 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
S1PR1 P21453 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
APP P05067 1/20 0.35
REN P00797 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
SCHEMBL6041383 0.95 TEAD3 (0.36) TEAD3GBA1UGCGGBA2ENPP2
SCHEMBL6041867 0.89 KDM4E (0.38) S1PR1NPC1RAB9A
SCHEMBL6041677 0.87 REN (0.46) TEAD3GBA1UGCGGBA2ENPP2
SCHEMBL6041364 0.83 KDM4E (0.46) SMN1; SMN2TP53S1PR1NPC1RAB9A
SCHEMBL6041658 0.83 CHRNB2 (0.45) ENPP2SMN1; SMN2TP53NPC1RAB9A
SCHEMBL6043226 0.82 REN (0.54) REN
SCHEMBL6951369 0.82 L3MBTL1 (0.36) GBA1UGCGGBA2MCHR1
SCHEMBL6042056 0.81 MEN1 (0.34)
SCHEMBL6042383 0.81 SLC6A1 (0.39) TEAD3TP53
SCHEMBL6041886 0.79 KDM4E (0.42) TEAD3GBA1UGCGGBA2SMN1; SMN2

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 TEAD3 2401/4885GBA1 158/4885UGCG 1760/4885

“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.