SCHEMBL4668240

SCHEMBL4668240

CC1(C(N)=O)c2ccccc2Oc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
NR3C1 P04150 1/20 0.40
ALOX5 P09917 3/20 0.37
CHRM3 P20309 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
P2RX4 Q99571 4/20 0.36
CYP2C9 P11712 1/20 0.36
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2B P41595 2/20 0.34
HTR7 P34969 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
SCHEMBL4636487 0.82 ALOX5 (0.38) ATMALOX5CHRM3CHRM2CHRM1
SCHEMBL523847 0.82 ALOX5 (0.41) ATMALOX5CHRM3CHRM2CHRM1
Bromide SCHEMBL27743790 0.81 ALOX5 (0.40) ATMALOX5CHRM3CHRM2CHRM1
SCHEMBL4030050 0.80 ALOX5 (0.37) ATMNR3C1ALOX5CHRM3CHRM2
SCHEMBL11795750 0.80 ATM (0.46) ATMNR3C1ALOX5CHRM3P2RX4
Bromomethane SCHEMBL208551 0.79 ALOX5 (0.39) ATMALOX5CHRM3CHRM2CHRM1
SCHEMBL2596466 0.78 P2RX4 (0.45) NR3C1ALOX5CHRM3CHRM2CHRM1
SCHEMBL13672457 0.77 CHRM3 (0.45) ALOX5CHRM3P2RX4CYP2C9MEN1
SCHEMBL11996655 0.77 ATM (0.40) ATMNR3C1ALOX5CHRM3P2RX4
SCHEMBL27732904 0.76 ATM (0.42) ATMALOX5CHRM3P2RX4CYP2C9

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-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US claimed
EP-1879882-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2008-01-23 EP claimed
WO-2006117183-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-09 WO claimed
EP-2721048-A1 A PROCESS FOR EXTRACTION OF PEPTIDES AND ITS APPLICATION IN LIQUID PHASE PEPTIDE SYNTHESIS Lonza Ltd (CH) 2014-04-23 EP disclosed
WO-2012171982-A1 A PROCESS FOR EXTRACTION OF PEPTIDES AND ITS APPLICATION IN LIQUID PHASE PEPTIDE SYNTHESIS LONZA LTD (CH) 2012-12-20 WO 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 ATM 4837/4885NR3C1 2047/4885ALOX5 1337/4885

“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.