SCHEMBL6041274

SCHEMBL6041274

O=C(O)N1CCC(c2ccc(F)cc2)C(OCc2ccc3ccccc3c2OCCC2OCCO2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HRH2 P25021 1/20 0.33
CXCR2 P25025 1/20 0.32
NPC1 O15118 1/20 0.32
ATM Q13315 1/20 0.32
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31
FAAH O00519 1/20 0.31
SLC6A3 Q01959 4/20 0.30
SLC18A2 Q05940 3/20 0.30
HTR2A P28223 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL6042311 0.89 REN (0.36) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL6041238 0.88 KDM1A (0.36) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL6042210 0.85 HPGD (0.38) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL6043265 0.84 SMN1; SMN2 (0.33) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL6042418 0.84 HRH2 (0.38) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL6041657 0.82 FAAH (0.38) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL7083058 0.81 REN (0.45) REN
SCHEMBL6043104 0.81 REN (0.33) ALDH1A1REN
SCHEMBL6041853 0.77 REN (0.33) REN
SCHEMBL6041322 0.77 REN (0.40) RAB9ANPC1REN

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 RAB9A 1698/4885ALDH1A1 2504/4885GAA 37/4885

“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.