SCHEMBL6041599

SCHEMBL6041599

COCCCOc1cc(COC2CN(C(=O)OC(C)(C)C(C)[SiH3])CCC2c2ccc(F)cc2)cc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.39
TACR1 P25103 5/20 0.35
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
PDE4B Q07343 1/20 0.32
TP53 P04637 1/20 0.32
BCHE P06276 1/20 0.31
HTR6 P50406 1/20 0.31
KRAS P01116 1/20 0.31
CCR3 P51677 1/20 0.31
CCR1 P32246 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
SCHEMBL27514027 0.91 TACR1 (0.37) RENTACR1BACE1BACE2
SCHEMBL27512630 0.89 TACR1 (0.35) RENTACR1BACE1BACE2
SCHEMBL27535951 0.88 TACR1 (0.36) RENTACR1BACE1BACE2
SCHEMBL27504637 0.87 TACR1 (0.39) RENTACR1BACE1BACE2TP53
SCHEMBL6042767 0.86 REN (0.42) RENKRASCCR3
SCHEMBL27512631 0.86 DNMT3A (0.37) RENTACR1BACE1BACE2PDE4B
SCHEMBL6041281 0.86 TACR1 (0.33) RENTACR1BACE1BACE2TP53
SCHEMBL6041595 0.84 REN (0.40) RENPDE4BKRASCCR3
SCHEMBL6042134 0.83 REN (0.39) RENKRASCCR3
SCHEMBL28740374 0.82 BACE1 (0.36) RENTACR1BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 REN 1485/4885TACR1 508/4885BACE1 1/4885

“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.