SCHEMBL5776638

SCHEMBL5776638

[CH2]CCOCc1ccccc1OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.54
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 5/20 0.45
ATM Q13315 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
PLEC Q15149 1/20 0.45
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40

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
SCHEMBL3165605 0.86 L3MBTL1 (0.53) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL2435543 0.85 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL4602231 0.82 IDO1 (0.56) L3MBTL1MAPTALDH1A1GAAHTR1A
SCHEMBL7959737 0.78 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL6200580 0.78 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL128857 0.77 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL7330758 0.77 L3MBTL1 (0.60) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL7959739 0.76 L3MBTL1 (0.58) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL11140434 0.75 L3MBTL1 (0.53) L3MBTL1MAPTNPSR1ALDH1A1ATM
SCHEMBL27555643 0.75 L3MBTL1 (0.53) L3MBTL1MAPTNPSR1ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 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 (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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN L3MBTL1 4854/4885MAPT 1330/4885NPSR1 3127/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 L3MBTL1 4859/4885MAPT 3937/4885NPSR1 1166/4885

“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.