SCHEMBL4337300

SCHEMBL4337300

O=Cc1ccc2c(c1)CCC[C@@H]2O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
PGR P06401 1/20 0.42
PYGL P06737 2/20 0.39
UGT2B17 O75795 2/20 0.37
KDM4E B2RXH2 1/20 0.36
PTGS2 P35354 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
OPRD1 P41143 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CAMK2A Q9UQM7 2/20 0.35
IGF1R P08069 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL1472540 1.00 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL33126 0.90 PGR (0.40) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL7478331 0.80 ALDH1A1 (0.46) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL2560483 0.80 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL12932008 0.80 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL22727906 0.79 KDM4E (0.41) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL13955352 0.76 ALDH1A1 (0.40) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL5516514 0.76 ALDH1A1 (0.43) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL13950518 0.76 ALDH1A1 (0.40) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL13955293 0.76 ALDH1A1 (0.40) ALDH1A1MEN1GAAMAPTHPGD

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 13 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-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-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
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 US disclosed
EP-1817306-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS Amgen, Inc (US) 2007-08-15 EP 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
WO-2006044355-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2006-04-27 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 (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 ALDH1A1 251/4885MEN1 4367/4885GAA 335/4885
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 ALDH1A1 794/4885MEN1 2001/4885GAA 4590/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB ALDH1A1 3413/4885MEN1 591/4885GAA 3930/4885

“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.