SCHEMBL13614279

SCHEMBL13614279

O[C@H]1CCOc2cc(CN3CCC(F)CC3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.50
PRMT5 O14744 3/20 0.45
WDR77 Q9BQA1 3/20 0.45
CYP2D6 P10635 4/20 0.44
HTR1A P08908 3/20 0.43
SLC6A4 P31645 3/20 0.43
LTA4H P09960 2/20 0.43
SLC18A3 Q16572 1/20 0.42
MCHR1 Q99705 1/20 0.39
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL13614277 0.78 CYP2D6 (0.39) PRMT5WDR77CYP2D6LTA4HMCHR1
SCHEMBL4133986 0.78 LTA4H (0.44) PRMT5WDR77CYP2D6LTA4HSLC18A3
SCHEMBL7366724 0.76 MAP3K14 (0.59) MAP3K14CYP2D6HTR1ASLC6A4HRH3
SCHEMBL4751498 0.76 MAP3K14 (0.59) MAP3K14CYP2D6HTR1ASLC6A4
SCHEMBL4349140 0.76 CYP2D6 (0.37) PRMT5WDR77CYP2D6LTA4HMCHR1
SCHEMBL4349132 0.76 CYP2D6 (0.37) PRMT5WDR77CYP2D6LTA4HMCHR1
SCHEMBL14138444 0.75 PRMT5 (0.46) PRMT5WDR77CYP2D6HTR1ASLC6A4
SCHEMBL19646975 0.72 MAP3K14 (0.55) MAP3K14CYP2D6HTR1ASLC6A4
SCHEMBL5950940 0.72 SMN1; SMN2 (0.47) CYP2D6HRH3
SCHEMBL5950942 0.72 SMN1; SMN2 (0.47) CYP2D6HRH3

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
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
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-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-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 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-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 MAP3K14 704/4885PRMT5 4471/4885WDR77 2430/4885

“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.