SCHEMBL6041802

SCHEMBL6041802

O=C(O)N1CCC(c2cccc(F)c2)C(O)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
SCD5 Q86SK9 4/20 0.44
HTT P42858 1/20 0.42
RIPK1 Q13546 1/20 0.41
PARP10 Q53GL7 1/20 0.41
CCR5 P51681 1/20 0.41
CHRM4 P08173 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SLC18A3 Q16572 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2241225 0.84 SLC18A3 (0.55) NPC1HTTRAB9AATMSLC18A3
SCHEMBL6042250 0.84 SLC18A3 (0.55) NPC1HTTRAB9AATMSLC18A3
SCHEMBL2241229 0.84 SLC18A3 (0.55) NPC1HTTRAB9AATMSLC18A3
SCHEMBL18585650 0.84 HSD11B1 (0.46) NPC1HTTCCR5RAB9ASLC18A3
SCHEMBL6042159 0.84 HRH3 (0.46) HTTSLC18A3ALDH1A1HPGD
SCHEMBL4351851 0.84 HTT (0.44) NPC1SCD5HTTRAB9ASLC18A3
SCHEMBL6044035 0.83 NOTUM (0.45) CHRM4HSD11B1HPGD
SCHEMBL6041432 0.83 RAB9A (0.45) NPC1HTTRAB9AATMSLC18A3
SCHEMBL16874863 0.80 QDPR (0.38) SLC18A3
SCHEMBL3081651 0.80 KDM1A (0.43) RAB9AALDH1A1

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 NPC1 418/4885SCD5 3269/4885HTT 155/4885

“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.