SCHEMBL1229441

SCHEMBL1229441

CC(C)(C)[Si](C)(C)OCc1cc(F)c(F)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
APLNR P35414 2/20 0.32
DPP4 P27487 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
SCHEMBL17864568 0.89 IDO1 (0.32) BACE1MAPTHPGDAPLNRDPP4
SCHEMBL29825464 0.83 BACE1 (0.30) BACE1MAPTHPGD
SCHEMBL31547080 0.81 APLNR (0.32) BACE1MAPTHPGDAPLNR
SCHEMBL15555223 0.81 KDM1A (0.35) BACE1MAPTHPGD
SCHEMBL14941564 0.81 NR3C1 (0.35) BACE1MAPTHPGDAPLNR
SCHEMBL30817938 0.81 NR3C1 (0.35) BACE1MAPTHPGDAPLNR
SCHEMBL25619927 0.80 BACE1 (0.30) BACE1MAPTHPGD
SCHEMBL20972155 0.80 BACE1 (0.30) BACE1MAPTHPGD
SCHEMBL29825109 0.78 MAPT (0.32) BACE1MAPTHPGD
SCHEMBL10699444 0.78 APLNR (0.40) BACE1MAPTAPLNR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488530-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS Merck Canada Inc. (CA) 2012-08-22 EP disclosed
US-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-08-09 US disclosed
US-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
EP-2467385-A1 RENIN INHIBITORS Merck Canada Inc. (CA) 2012-06-27 EP disclosed
WO-2011057382-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-05-19 WO disclosed
WO-2011020193-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-02-24 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 (2 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-20120202837-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS REN, AGTR1, AGTR2 BACE1 2829/4885MAPT 4720/4885HPGD 303/4885
US-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 BACE1 858/4885MAPT 4673/4885HPGD 429/4885

“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.