SCHEMBL6043843

SCHEMBL6043843

C=CCOc1ccc(C2CCN(C(=O)O)CC2OCc2ccc(SC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HTR2A P28223 1/20 0.35
KDM1A O60341 4/20 0.35
MAOB P27338 4/20 0.35
MAOA P21397 3/20 0.35
HRH3 Q9Y5N1 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
PRKDC P78527 1/20 0.34
PPARG P37231 1/20 0.34
ADRB2 P07550 1/20 0.34

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
SCHEMBL6041640 0.87 PPARG (0.39) KDM1AMAOBMAOAHRH3PPARG
SCHEMBL6041647 0.87 PPARG (0.39) KDM1AMAOBMAOAHRH3PPARG
SCHEMBL6042876 0.86 GPR119 (0.38) SLC6A2SLC6A4SLC6A3SMN1; SMN2KDM4E
SCHEMBL6041697 0.84 MEN1 (0.39) SMN1; SMN2KDM1AMAOBPOLB
SCHEMBL6042110 0.84 REN (0.49)
SCHEMBL6953003 0.83 GPR119 (0.36) SLC6A2SLC6A4SLC6A3SMN1; SMN2MAPT
SCHEMBL6041822 0.82 REN (0.49) KDM4EKDM1AMAOBMAOA
SCHEMBL3418650 0.82 KDM1A (0.44) SMN1; SMN2KDM4EMAPTKDM1AMAOB
SCHEMBL6042564 0.81 REN (0.39) SMN1; SMN2MAPTHTR2AKDM1AMAOB
SCHEMBL6043886 0.80 REN (0.39) KDM1AMAOBMAOA

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 SLC6A2 3109/4885SLC6A4 3264/4885SLC6A3 2921/4885

“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.