SCHEMBL6041240

SCHEMBL6041240

C=C(OC1CN(C(=O)O)CCC1c1ccc(F)cc1)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ATM Q13315 1/20 0.41
KDM1A O60341 1/20 0.38
DRD4 P21917 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 1/20 0.37
HSD11B1 P28845 1/20 0.37
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
PLD1 Q13393 1/20 0.37
KDM2B Q8NHM5 3/20 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
SCHEMBL6042280 0.90 RAB9A (0.42) RAB9ANPC1ATMKDM1ADRD4
SCHEMBL7078838 0.81 NPC1 (0.36) RAB9ANPC1KDM1ADRD4MCHR1
SCHEMBL6043496 0.79 REN (0.50) MCHR1
SCHEMBL7563699 0.78 TACR1 (0.40) RAB9ANPC1ATMALDH1A1GAA
SCHEMBL7569293 0.78 TACR1 (0.41)
SCHEMBL6042842 0.78 REN (0.45) RAB9ANPC1DRD4MAPTKDM2B
SCHEMBL27536156 0.73 KDM1A (0.36) RAB9AKDM1ADRD4ALDH1A1GAA
SCHEMBL6042196 0.72 DRD2 (0.40) RAB9ANPC1DRD4ALDH1A1GAA
SCHEMBL6041641 0.72 REN (0.46)
SCHEMBL6042045 0.72 KDM1A (0.44) RAB9AKDM1AALDH1A1GAAMAPT

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 1698/4885NPC1 418/4885ATM 3075/4885

“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.