SCHEMBL6041886

SCHEMBL6041886

O=C(O)N1CCC(c2ncc(OCCCOCc3ccccc3)cn2)C(O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
TEAD3 Q99594 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
GBA1 P04062 2/20 0.39
UGCG Q16739 2/20 0.39
GBA2 Q9HCG7 2/20 0.39
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPY1R P25929 1/20 0.38
NAAA Q02083 1/20 0.37
S1PR5 Q9H228 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
KMT2A Q03164 1/20 0.37
P4HTM Q9NXG6 1/20 0.36

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
SCHEMBL6041409 0.92 SMN1; SMN2 (0.46) KDM4EALDH1A1LMNASMN1; SMN2TP53
SCHEMBL6041364 0.88 KDM4E (0.46) KDM4EALDH1A1LMNASMN1; SMN2TP53
SCHEMBL6041677 0.82 REN (0.46) KDM4EALDH1A1LMNATEAD3SMN1; SMN2
SCHEMBL6042487 0.82 REN (0.52)
SCHEMBL6951300 0.81 GPR119 (0.40) KDM4EALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL6043867 0.79 TEAD3 (0.38) TEAD3SMN1; SMN2TP53NPC1RAB9A
SCHEMBL1447818 0.79 GPR119 (0.58) GPR119
SCHEMBL3193386 0.78 RAB9A (0.45) KDM4EALDH1A1LMNATEAD3SMN1; SMN2
SCHEMBL3069231 0.78 NPC1 (0.52) KDM4EALDH1A1LMNASMN1; SMN2TP53
SCHEMBL6041383 0.78 TEAD3 (0.36) TEAD3SMN1; SMN2TP53NPC1RAB9A

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 KDM4E 2501/4885ALDH1A1 2504/4885LMNA 380/4885

“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.