SCHEMBL4667749

SCHEMBL4667749

CC1(CN)c2ccccc2Oc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.53
ALOX5 P09917 1/20 0.38
CHRM3 P20309 1/20 0.36
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
AHR P35869 1/20 0.33
TAAR1 Q96RJ0 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL4026035 0.81 CHRM3 (0.38) HTR2AALOX5CHRM3MAOAMAOB
SCHEMBL11994185 0.79 ALOX5 (0.35) HTR2AALOX5CHRM3MAOAMAOB
SCHEMBL10083663 0.78 ELANE (0.43) HTR2AALOX5CHRM3MAOAMAOB
SCHEMBL7509522 0.78 ALOX5 (0.34) HTR2AALOX5CHRM3MAOAMAOB
SCHEMBL26356876 0.77 ALOX5 (0.41) HTR2AALOX5CHRM3MAOAMAOB
SCHEMBL47009 0.77 ALOX5 (0.44) HTR2AALOX5CHRM3MAOAMAOB
SCHEMBL29360424 0.77 ALOX5 (0.44) HTR2AALOX5CHRM3MAOAMAOB
SCHEMBL20879871 0.76 KMT2A (0.36) HTR2AALOX5CHRM3
SCHEMBL9091614 0.75 AKR1B1 (0.47) ALOX5CHRM3CYP2D6
Phosphine SCHEMBL17530281 0.75 ALOX5 (0.42) HTR2AALOX5CHRM3MAOAMAOB

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 10 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
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 US disclosed
CN-101171248-A 3-mono- and 3,5-disubstituted piperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2008-04-30 CN 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
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 HTR2A 2157/4885ALOX5 1337/4885CHRM3 2448/4885

“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.