SCHEMBL743909

SCHEMBL743909

CC1(C)OB(c2ccc3[nH]c(C(F)(F)F)cc3c2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.40
LIPG Q9Y5X9 12/20 0.40
F2 P00734 2/20 0.39
F11 P03951 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
KDM4E B2RXH2 2/20 0.35
CHRNA7 P36544 2/20 0.33
KCNH2 Q12809 2/20 0.33
HTR6 P50406 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
SCHEMBL3190570 0.79 CYP2A6 (0.46) LPLLIPGF11KDM4E
SCHEMBL16567346 0.76 LPL (0.42) LPLLIPGF2F11PRSS1
SCHEMBL14658441 0.75 NPSR1 (0.45) LPLLIPGF2F11PRSS1
SCHEMBL17351214 0.75 AR (0.31)
SCHEMBL17206080 0.74 LIPG (0.55) LPLLIPGF2PRSS1KDM4E
SCHEMBL28292828 0.74 CYP2A6 (0.45) LPLLIPGF11
SCHEMBL30052604 0.74 LPL (0.43) LPLLIPG
SCHEMBL9918 0.74 LPL (0.43) LPLLIPG
SCHEMBL1459028 0.74 LIPG (0.40) LPLLIPGF11
SCHEMBL2098959 0.74 CA9 (0.50) LPLLIPGF11

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099795-B1 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBVIE BAHAMAS LTD (BS) 2015-08-19 EP disclosed
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES 2015-06-11 US disclosed
US-8987453-B2 Azaadamantane derivatives and methods of use ABBVIE INC. (US) 2015-03-24 US disclosed
EP-2231672-B1 BIARYL SUBSTITUTED DIAZABICYCLOHEPTANE DERIVATIVES AS nAChR MODULATORS ABBVIE INC (US) 2014-12-17 EP disclosed
US-8853241-B2 Biaryl substituted azabicyclic alkane derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
EP-2431368-B1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBVIE BAHAMAS LTD (BS) 2014-08-27 EP disclosed
EP-2604611-A1 N-Biaryl substituted diazabicycloalkane derivatives as agonists of the alpha7 and alpha4beta2 nACh Receptor AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130096132-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE ABBVIE INC. (US) 2013-04-18 US disclosed
EP-2280010-B1 Biaryl substituted azabicyclic alkane derivatives as nicotinic acetylcholine receptor activity modulators ABBOTT LAB (US) 2012-12-19 EP disclosed
US-8314119-B2 Azaadamantane derivatives and methods of use ABBVIE INC. (US) 2012-11-20 US disclosed
WO-2008058096-A2 AZAADAMANTANE DERIVATIVES AND THEIR USES AS NICOTINIC ACETYLCHOLINE RECEPTORS LIGANDS ABBOTT LABORATORIES (US) 2008-05-15 WO disclosed
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2008-03-13 US disclosed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 US disclosed
WO-2007137030-A2 CNS ACTIVE FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2007-11-29 WO disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
EP-1648905-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS Abbott Laboratories (US) 2006-04-26 EP disclosed
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABBVIE INC. 2005-02-24 US disclosed
WO-2005010009-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-02-03 WO disclosed
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES 2005-02-03 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 (7 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-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 LPL 2132/4885LIPG 1481/4885F2 2666/4885
US-20050026944-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK LPL 4579/4885LIPG 3220/4885F2 2963/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C LPL 4864/4885LIPG 4744/4885F2 4039/4885
US-20050043347-A1 Thienopyridine and furopyridine kinase inhibitors ABL1, ERBB2, LCK LPL 4579/4885LIPG 3220/4885F2 2963/4885
US-20130096132-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE GNE, CYP3A5, UGT1A4 LPL 4169/4885LIPG 2487/4885F2 4497/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK LPL 4579/4885LIPG 3220/4885F2 2963/4885
US-20150158867-A1 AZAADAMANTANE DERIVATIVES AND METHODS OF USE GNE, CYP3A5, UGT1A4 LPL 4169/4885LIPG 2487/4885F2 4497/4885

“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.