SCHEMBL6042262

SCHEMBL6042262

O=C(OC(Cc1ccc2ccccc2c1)OCc1ccccc1)N1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.43
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM4 P08173 1/20 0.41
TRPC3 Q13507 1/20 0.40
TRPC7 Q9HCX4 1/20 0.40
CCR1 P32246 1/20 0.40
HPN P05981 1/20 0.40
HGFAC Q04756 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
MCHR1 Q99705 1/20 0.39
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 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
SCHEMBL6042950 0.87 CCR1 (0.44) FAAHRAB9AALDH1A1GAAMAPT
SCHEMBL7562673 0.87 FAAH (0.46) FAAHRAB9AALDH1A1GAAMAPT
SCHEMBL6044326 0.78 MCHR1 (0.42) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL6042254 0.78 MCHR1 (0.42) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL6044726 0.78 MCHR1 (0.42) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL7562668 0.70 MCHR1 (0.40) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL19404812 0.70 PDE4B (0.60) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL6043085 0.70 MCHR1 (0.41) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL6042963 0.70 MCHR1 (0.41) RAB9AALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL6042959 0.70 MCHR1 (0.41) RAB9AALDH1A1GAAMAPTSMN1; 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 FAAH 466/4885RAB9A 1698/4885ALDH1A1 2504/4885

“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.