SCHEMBL4667732

SCHEMBL4667732

COCCCCC1(C(=O)OC)c2ccccc2Oc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.37
ALOX5 P09917 2/20 0.36
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
P2RX4 Q99571 1/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4667739 0.88 CYP4F2 (0.39) RENL3MBTL1ALOX5CHRM2CHRM1
SCHEMBL4669426 0.86 KMT2A (0.41) RENTSHRALOX5P2RX4ALDH1A1
SCHEMBL4669242 0.86 REN (0.46) RENL3MBTL1TSHRALOX5CHRM2
SCHEMBL4669425 0.84 MEN1 (0.47) RENTSHRALOX5CHRM2CHRM1
SCHEMBL4669287 0.82 REN (0.42) RENL3MBTL1TSHRALOX5CHRM2
SCHEMBL4670464 0.82 ALOX5 (0.38) RENL3MBTL1TSHRALOX5CHRM2
Bromide SCHEMBL11067184 0.81 ALOX5 (0.38) RENL3MBTL1ALOX5CHRM2CHRM1
SCHEMBL4221762 0.80 P2RX4 (0.41) L3MBTL1ALOX5CHRM2CHRM1CHRM3
SCHEMBL4669085 0.78 ALOX5 (0.36) RENL3MBTL1ALOX5CHRM2CHRM1
SCHEMBL15691733 0.76 ALDH1A1 (0.44) POLBALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
EP-1879882-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2008-01-23 EP disclosed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 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-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 REN 1/4885L3MBTL1 4487/4885TSHR 3223/4885

“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.