SCHEMBL2806496

SCHEMBL2806496

COCCCc1ccccc1CO

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
MAPK1 P28482 1/20 0.35
MPO P05164 1/20 0.34
SLC6A4 P31645 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 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
SCHEMBL28051408 0.88 CYP4F2 (0.49) CYP4F2CYP4A11TSHRALDH1A1KDM4E
SCHEMBL15184061 0.85 TSHR (0.39) CYP4F2CYP4A11TSHRALDH1A1KDM4E
SCHEMBL2150980 0.84 MPO (0.50) TSHRMPOSLC6A4
SCHEMBL2810417 0.80 TSHR (0.36) CYP4F2CYP4A11TSHRALDH1A1KDM4E
SCHEMBL30368095 0.78 MPO (0.49) MPOSLC6A4
Methoxymethane SCHEMBL27638371 0.78 APOBEC3G (0.50) CYP4F2CYP4A11TSHRALDH1A1KDM4E
SCHEMBL8819214 0.78 TAAR1 (0.52) TSHRALDH1A1KDM4EALOX5PTGS2
SCHEMBL16670387 0.78 ALOX5 (0.51) TSHRALDH1A1ALOX5PTGS2
SCHEMBL2094194 0.77 CYP1A2 (0.47) ALDH1A1KDM4ETDP1MTNR1A
SCHEMBL7044008 0.77 MGLL (0.51) MPOSLC6A4

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-8362040-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2010-09-23 US disclosed
US-7754727-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
EP-1689712-B1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2008-10-30 US disclosed
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors SEDRANI RICHARD 2007-04-05 US disclosed
EP-1689712-A1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051911-A1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2005-06-09 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 (3 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-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE CYP4F2 254/4885CYP4A11 39/4885TSHR 2152/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE CYP4F2 324/4885CYP4A11 53/4885TSHR 2312/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE CYP4F2 324/4885CYP4A11 53/4885TSHR 2312/4885

“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.