SCHEMBL6041867

SCHEMBL6041867

O=C(O)N1CCC(c2ccc(CCCc3ccccc3)nc2)C(O)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
HPSE Q9Y251 1/20 0.38
ALDH1A1 P00352 3/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BLM P54132 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
STAT1 P42224 1/20 0.36
RAB9A P51151 1/20 0.36
S1PR1 P21453 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
SCHEMBL6043867 0.89 TEAD3 (0.38) NPC1RAB9AS1PR1
SCHEMBL6041383 0.86 TEAD3 (0.36) NPC1RAB9A
SCHEMBL6042056 0.85 MEN1 (0.34) KMT2AMEN1
SCHEMBL6042383 0.81 SLC6A1 (0.39) KMT2AALDH1A1MEN1
SCHEMBL6042975 0.81 S1PR1 (0.53) KDM4EALDH1A1S1PR1
SCHEMBL6041658 0.81 CHRNB2 (0.45) NPC1RAB9A
SCHEMBL6041689 0.80 S1PR1 (0.50) KDM4EALDH1A1NPC1RAB9AS1PR1
SCHEMBL6959580 0.79 SIGMAR1 (0.34)
SCHEMBL6043097 0.79 REN (0.46)
SCHEMBL6041677 0.78 REN (0.46) KDM4EALDH1A1NPC1RAB9A

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 2501/4885KMT2A 2702/4885HPSE 2745/4885

“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.