SCHEMBL6041434

SCHEMBL6041434

BrCc1ccc2cccc(CBr)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
MC5R P33032 1/20 0.41
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 1/20 0.35
HTR2A P28223 4/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
ADRA2A P08913 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 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
SCHEMBL22731627 0.87 MAPK1 (0.38) MAPK1MC5RCYP1A2CYP2C19CYP2D6
SCHEMBL15413750 0.80 CYP2A6 (0.45) MAPK1MC5RCYP1A2CYP2C19CYP2D6
SCHEMBL10391875 0.80 ALDH1A1 (0.34) MAPK1MC5RCYP1A2CYP2C19CYP2D6
SCHEMBL9609733 0.79 ALDH1A1 (0.56) MAPK1MC5RCYP1A2CYP2C19CYP2D6
SCHEMBL4160543 0.79 HTR2A (0.37) CYP1A2CYP2C19CYP2D6CYP2C9HTR2A
SCHEMBL6960586 0.78 ADRA2A (0.49) MAPK1MC5RCYP1A2CYP2C19CYP2D6
SCHEMBL3282476 0.78 CYP1A2 (0.57) MAPK1MC5RCYP1A2HTR2AHTR2C
SCHEMBL3277029 0.78 CYP1A2 (0.57) CYP1A2CYP2C19CYP2D6CYP2C9HTR2A
SCHEMBL3276205 0.78 CYP2A6 (0.43) CYP1A2CYP2C19CYP2D6CYP2C9HTR2A
SCHEMBL3276551 0.78 CYP1A2 (0.43) CYP1A2CYP2C19CYP2C9HTR2AACHE

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 7 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
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 (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 MAPK1 4624/4885MC5R 3326/4885CYP1A2 3010/4885

“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.