SCHEMBL6042879

SCHEMBL6042879

COc1nc(CBr)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.47
CYP1A2 P05177 3/20 0.47
NR1I3 Q14994 2/20 0.47
CYP3A4 P08684 1/20 0.47
VDR P11473 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
AHR P35869 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ADORA3 P0DMS8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ELANE P08246 1/20 0.39

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
SCHEMBL14507321 0.84 MAPK1 (0.61) MAPK1MAPTPOLBCYP1A2NR1I3
SCHEMBL17194216 0.77 GPR3 (0.53) MAPK1MAPTPOLBCYP1A2CYP3A4
SCHEMBL6042690 0.74 LMNA (0.68) MAPK1MAPTPOLBCYP1A2NR1I3
SCHEMBL29487316 0.74 MAPT (0.56) MAPK1MAPTPOLBCYP1A2NR1I3
SCHEMBL317214 0.74 MAPT (0.56) MAPK1MAPTPOLBCYP1A2NR1I3
SCHEMBL7048658 0.74 CYP1A2 (0.58) MAPK1MAPTPOLBCYP1A2NR1I3
SCHEMBL24951269 0.73 SMN1; SMN2 (0.48) MAPTPOLBALDH1A1HPGDKDM4E
SCHEMBL30819456 0.73 SMN1; SMN2 (0.48) MAPTPOLBALDH1A1HPGDKDM4E
SCHEMBL1995850 0.73 NR1I3 (0.56) MAPK1MAPTPOLBCYP1A2NR1I3
Hydrochloric Acid SCHEMBL8442906 0.73 MAPT (0.54) MAPK1MAPTPOLBCYP1A2NR1I3

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 4624/4885MAPT 43/4885POLB 952/4885

“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.