SCHEMBL4667760

SCHEMBL4667760

c1ccc(CNCC2c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.61
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH1 P35367 3/20 0.43
HTR2C P28335 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 1/20 0.41
CXCR4 P61073 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
SCHEMBL79265 0.76 MAOA (0.48) LMNAMEN1KMT2AMAOAMAOB
SCHEMBL8819257 0.75 MAPK1 (0.41) LMNAMEN1KMT2AMAOAMAOB
SCHEMBL1694371 0.72 LMNA (0.53) LMNAMEN1KMT2AMAOAMAOB
SCHEMBL30537323 0.70 HTR2A (0.47) HTR2ALMNAMEN1KMT2ATDP1
SCHEMBL29085529 0.70 HTR2A (0.47) HTR2ALMNAMEN1KMT2ATDP1
SCHEMBL23023051 0.70 HTR1A (0.50) HTR2AHTR2CCXCR4
SCHEMBL2736393 0.70 MAOA (0.50) LMNAMEN1KMT2AMAOAMAOB
SCHEMBL5338882 0.69 LMNA (0.52) LMNAMEN1KMT2AMAOAMAOB
SCHEMBL9016787 0.69 MAOA (0.50) LMNAMEN1KMT2AMAOAMAOB
SCHEMBL9634121 0.69 TSHR (0.47) LMNAMEN1KMT2AMAOAMAOB

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 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 2157/4885LMNA 1399/4885MEN1 1863/4885

“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.