SCHEMBL925429

SCHEMBL925429

COCCCOc1ccc(Br)c(CCO[Si](C(C)C)(C(C)C)C(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.33
HTR1A P08908 2/20 0.33
SLC6A4 P31645 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
MAPK1 P28482 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GRM4 Q14833 1/20 0.31
ACACB O00763 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GPR88 Q9GZN0 1/20 0.30

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
SCHEMBL925413 0.82 LNPEP (0.33) CYP2D6CYP1A2CYP2C19MAPK1LNPEP
SCHEMBL924613 0.82 SLC6A4 (0.37) CYP2D6SLC6A4CYP1A2CYP2C19MAPK1
SCHEMBL925088 0.78 KDM4E (0.38) CYP2D6HTR1ASLC6A4CYP1A2CYP2C19
SCHEMBL533960 0.78 CYP2D6 (0.42) CYP2D6HTR1ASLC6A4CYP1A2CYP2C19
SCHEMBL924693 0.75 NOS3 (0.35) CYP2D6SLC6A4CYP1A2CYP2C19KDM4E
SCHEMBL3720544 0.75 CYP2D6 (0.33) CYP2D6HTR1ASLC6A4CYP1A2CYP2C19
SCHEMBL3720545 0.72 CYP2D6 (0.32) CYP2D6HTR1ASLC6A4CYP1A2CYP2C19
SCHEMBL3720537 0.72 HTR1A (0.33) CYP2D6HTR1ASLC6A4CYP1A2CYP2C19
SCHEMBL3720541 0.72 CYP2D6 (0.32) CYP2D6HTR1ASLC6A4CYP1A2CYP2C19
SCHEMBL534207 0.71 SLC6A4 (0.40) CYP2D6HTR1ASLC6A4MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009399-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-01-13 US disclosed
EP-2231677-A2 TRISUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2010-09-29 EP disclosed
WO-2009074674-A2 TRISUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-06-18 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-20110009399-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 CYP2D6 71/4885HTR1A 976/4885SLC6A4 1980/4885

“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.