SCHEMBL6042930

SCHEMBL6042930

COc1ccc(COC2CN(C(=O)O)CCC2c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 1/20 0.43
TACR1 P25103 7/20 0.42
CCR2 P41597 1/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
PDGFRA P16234 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
TSHR P16473 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6042012 0.87 REN (0.45) TACR1PDGFRAS1PR1S1PR5
SCHEMBL6042204 0.86 ALDH1A1 (0.54) LMNAALDH1A1RAB9ABCL9CTNNB1
SCHEMBL6959366 0.84 CCR2 (0.41) UBE2MDCUN1D1LMNAALDH1A1TACR1
SCHEMBL6042033 0.82 REN (0.45) LMNAALDH1A1RAB9AS1PR5SMN1; SMN2
SCHEMBL6043165 0.81 REN (0.46) LMNAALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL6041580 0.80 REN (0.45) LMNAALDH1A1RAB9AMAPTGAA
SCHEMBL6041350 0.79 REN (0.51) LMNAALDH1A1RAB9A
SCHEMBL6042021 0.78 REN (0.50)
SCHEMBL6949130 0.77 REN (0.62)
SCHEMBL6042266 0.76 REN (0.44) LMNAALDH1A1SMN1; 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 UBE2M 3206/4885DCUN1D1 4202/4885LMNA 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.