SCHEMBL6042985

SCHEMBL6042985

C[Sn](C)(C)c1ccc(CCCOCc2ccccc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.37
FAAH O00519 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GBA1 P04062 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6042028 0.92 TSHR (0.39) HRH4HRH3L3MBTL1TDP1TSHR
SCHEMBL6041393 0.83 NOS3 (0.41) L3MBTL1MEN1KMT2A
SCHEMBL6042497 0.79 HRH4 (0.49) HRH4HRH3L3MBTL1TDP1TSHR
SCHEMBL30724493 0.75 HRH3 (0.50) HRH4HRH3L3MBTL1TDP1TSHR
SCHEMBL18163282 0.75 HRH3 (0.50) HRH4HRH3L3MBTL1TDP1TSHR
SCHEMBL5869136 0.72 PKM (0.45) L3MBTL1TDP1MEN1KMT2A
SCHEMBL18163285 0.71 HRH1 (0.51) HRH4HRH3L3MBTL1TDP1TSHR
SCHEMBL4069939 0.70 TDP1 (0.64) HRH4HRH3L3MBTL1TDP1TSHR
Hydrochloric Acid SCHEMBL19951069 0.70 HRH1 (0.50) HRH4HRH3L3MBTL1TDP1TSHR
SCHEMBL19951059 0.70 HRH1 (0.54) HRH4HRH3L3MBTL1TDP1TSHR

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 HRH4 785/4885HRH3 404/4885L3MBTL1 1516/4885

“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.