SCHEMBL2682985

SCHEMBL2682985

COCCCC1=CC(C)(C)Oc2ccc(Br)cc21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL27721298 0.84
SCHEMBL27700691 0.84 BACE1 (0.33)
SCHEMBL2683460 0.82 CNR2 (0.35)
SCHEMBL2682786 0.81 FDPS (0.33) MAPTALDH1A1
SCHEMBL7731218 0.74 NPC1 (0.36)
SCHEMBL2683150 0.71 NPSR1 (0.31) NPSR1KDM4EMAPT
SCHEMBL14862508 0.70 PGR (0.39) NPSR1MAPT
SCHEMBL7032951 0.67 PPIB (0.40) KDM4EMAPTALDH1A1
SCHEMBL24727857 0.65 RARA (0.54) NPSR1KDM4EMAPTALDH1A1
SCHEMBL3469320 0.64 KDM4E (0.37) KDM4EMAPTALDH1A1

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-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS HEROLD PETER (CH) 2012-05-10 US disclosed
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-10-29 US disclosed
CN-101151247-A 3,4, 5-substituted piperidines as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2008-03-26 CN disclosed
EP-1863763-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
EP-1816122-A2 3,4,5-substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2007-08-08 EP disclosed
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-07-19 US disclosed
WO-2006103275-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 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-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ NPSR1 617/4885KDM4E 2199/4885MAPT 529/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 NPSR1 161/4885KDM4E 2083/4885MAPT 4584/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 NPSR1 146/4885KDM4E 1957/4885MAPT 4519/4885

“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.