SCHEMBL6043469

SCHEMBL6043469

Brc1ccc(CCCc2ccccc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.46
ALDH1A1 P00352 1/20 0.44
GLS O94925 1/20 0.43
HTR2A P28223 1/20 0.41
DHFR P00374 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
SIGMAR1 Q99720 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
FAAH O00519 1/20 0.38
CES1 P23141 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL13058462 0.89 KCNH2 (0.48) GBA1ALDH1A1GLSDHFRNOS1
SCHEMBL6042497 0.81 HRH4 (0.49) GBA1ALDH1A1GLS
SCHEMBL17663847 0.79 GBA1 (0.45) GBA1ALDH1A1GLS
SCHEMBL6042693 0.77 TSHR (0.42) GBA1ALDH1A1GLS
SCHEMBL36255 0.76 HTR2A (0.60) ALDH1A1HTR2ASIGMAR1HSP90AA1MAOA
SCHEMBL3515320 0.76 CYP11B1 (0.41) GBA1ALDH1A1GLS
SCHEMBL7424809 0.76 GBA1 (0.40) GBA1ALDH1A1GLS
SCHEMBL10461384 0.76 GBA1 (0.48) GBA1ALDH1A1GLS
SCHEMBL6041393 0.75 NOS3 (0.41) HTR2ADHFRNOS3NOS1NOS2
SCHEMBL2358386 0.74 GBA1 (0.47) GBA1ALDH1A1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667602-B2 Compounds and their use ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP 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
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO 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 (2 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-11667602-B2 Compounds and their use RXFP1, RXFP3, RXFP2 GBA1 1705/4885ALDH1A1 1531/4885GLS 12/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 GBA1 158/4885ALDH1A1 2504/4885GLS 1003/4885

“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.