SCHEMBL747024

SCHEMBL747024

CN1C2CCC1CC(Oc1ccc(-c3ccc4[nH]c(C(F)(F)F)c(OC(=O)/C=C/C(=O)Oc5c(C(F)(F)F)[nH]c6ccc(-c7ccc(OC8CC9CCC(C8)N9C)cn7)cc56)c4c3)nc1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
CYP3A4 P08684 2/20 0.36
TTK P33981 2/20 0.36
AURKB Q96GD4 2/20 0.36
INCENP Q9NQS7 2/20 0.36
DGAT1 O75907 2/20 0.35
OPRK1 P41145 1/20 0.35
DYRK1A Q13627 3/20 0.34
GSK3B P49841 2/20 0.34
SOS1 Q07889 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
HTR3E A5X5Y0 2/20 0.31
HTR3B O95264 2/20 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
Fumaric Acid SCHEMBL747023 0.77 CHRNA7 (0.47) P2RX3P2RX2CYP3A4TTKAURKB
SCHEMBL748372 0.75 KCNH2 (0.53) P2RX3P2RX2CYP3A4TTKAURKB
Trifluoroacetic Acid SCHEMBL750049 0.72 SLC6A2 (0.43) P2RX3P2RX2CYP3A4TTKAURKB
SCHEMBL2484827 0.71 CHRNA7 (0.49) SLC6A2SLC6A3
SCHEMBL744341 0.71 CHRNA7 (0.49) SLC6A2SLC6A3
SCHEMBL2484828 0.71 CHRNA7 (0.49) SLC6A2SLC6A3
SCHEMBL744687 0.70 CHRNA7 (0.49) AURKBDYRK1AGSK3BSLC6A2SLC6A3
SCHEMBL746332 0.69 CHRNA7 (0.48) OPRK1SLC6A2SLC6A3
Trifluoroacetic Acid SCHEMBL989041 0.69 CHRNA7 (0.42) P2RX3P2RX2CYP3A4TTKAURKB
Hydrochloric Acid SCHEMBL746978 0.69 CHRNA7 (0.47) OPRK1SLC6A2SLC6A3

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
EP-2431368-B1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBVIE BAHAMAS LTD (BS) 2014-08-27 EP disclosed
EP-2431368-A1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives Abbott Laboratories (US) 2012-03-21 EP disclosed
EP-2018380-B1 Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LAB (US) 2011-10-19 EP disclosed
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 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 (2 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 P2RX3 1901/4885P2RX2 1488/4885CYP3A4 223/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 P2RX3 1901/4885P2RX2 1488/4885CYP3A4 223/4885

“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.