SCHEMBL4669217

SCHEMBL4669217

NC(=O)C1(CCc2ccccc2)c2ccccc2Oc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.40
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
S1PR1 P21453 1/20 0.38
LMNA P02545 2/20 0.37
KEAP1 Q14145 1/20 0.37
SIRT1 Q96EB6 1/20 0.36
ATM Q13315 1/20 0.36
P2RX1 P51575 1/20 0.35
P2RX3 P56373 1/20 0.35
HDAC3 O15379 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 1/20 0.35
HDAC4 P56524 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 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
SCHEMBL6650308 0.79 HDAC1 (0.42) P2RX4CHRM2CHRM1CHRM3LMNA
SCHEMBL4669287 0.75 REN (0.42) P2RX4CHRM2CHRM1CHRM3LMNA
SCHEMBL4669242 0.74 REN (0.46) P2RX4CHRM2CHRM1CHRM3LMNA
SCHEMBL4669218 0.73 HTR2A (0.39) P2RX4CHRM2CHRM1CHRM3LMNA
SCHEMBL6688245 0.73 ATM (0.36) ATMALOX5
SCHEMBL6648251 0.72 P2RX4 (0.40) P2RX4HDAC1HDAC8ALDH1A1KMT2A
SCHEMBL11795750 0.71 ATM (0.46) P2RX4CHRM3ATMHDAC3HDAC4
SCHEMBL523372 0.70 ALOX5 (0.39) P2RX4CHRM2CHRM1CHRM3LMNA
SCHEMBL27732904 0.70 ATM (0.42) P2RX4CHRM3ATMALOX5
SCHEMBL10974812 0.69 AKR1B1 (0.43) P2RX4ALDH1A1KMT2AALOX5

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 8 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
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
EP-1907391-A1 NOVEL PROCESS FOR ACYCLIC PHOSPHONATE NUCLEOTIDE ANALOGS Hetero Drugs Limited (IN) 2008-04-09 EP disclosed
EP-1879882-A1 3 -M0N0- AND 3 , 5-DISUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2008-01-23 EP disclosed
WO-2007013085-A1 NOVEL PROCESS FOR ACYCLIC PHOSPHONATE NUCLEOTIDE ANALOGS HETERO DRUGS LIMITED (IN) 2007-02-01 WO 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 P2RX4 439/4885CHRM2 3702/4885CHRM1 2249/4885

“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.