SCHEMBL4349140

SCHEMBL4349140

CC(C)(C)[Si](C)(C)OC1CCOc2cc(CN3CCC(F)CC3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
LTA4H P09960 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
HTT P42858 1/20 0.35
TEAD1 P28347 2/20 0.35
MCHR1 Q99705 2/20 0.35
ACHE P22303 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 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
SCHEMBL4349132 1.00 CYP2D6 (0.37) CYP2D6LTA4HPRMT5WDR77DRD2
SCHEMBL13614278 0.81 PDCD1 (0.34)
SCHEMBL13614279 0.76 MAP3K14 (0.50) CYP2D6LTA4HPRMT5WDR77MCHR1
SCHEMBL5549900 0.76
SCHEMBL22473503 0.75 ADRA2A (0.40) TSHR
SCHEMBL20449128 0.74 ADRA2A (0.47) HTT
SCHEMBL20449129 0.74 ADRA2A (0.47) HTT
SCHEMBL31372083 0.73 HTR1A (0.42) DRD2DRD3
SCHEMBL13614280 0.71 ALDH1A1 (0.37)
SCHEMBL4152363 0.71 SSTR4 (0.38) CYP2D6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 US disclosed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 US disclosed
US-20060100216-A1 Novel B1 bradykinin receptor antagonists AMGEN INC. (US) 2006-05-11 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 (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-20060100213-A1 Triazoles and methods of use CYP3A5, CYP3A43, CYP2E1 CYP2D6 35/4885LTA4H 64/4885PRMT5 3309/4885
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction BDKRB1, BDKRB2, FPR1 CYP2D6 762/4885LTA4H 245/4885PRMT5 4471/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB CYP2D6 1672/4885LTA4H 132/4885PRMT5 4022/4885

“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.