SCHEMBL748372

SCHEMBL748372

CN1C2CCC1CC(Oc1ccc(-c3ccc4[nH]c(C(F)(F)F)cc4c3)nc1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.53
CHRNA7 P36544 6/20 0.53
SOS1 Q07889 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
DGAT1 O75907 1/20 0.38
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PHKG2 P15735 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MARK3 P27448 1/20 0.35
PRKCI P41743 1/20 0.35
CLK2 P49760 1/20 0.35
IRAK1 P51617 1/20 0.35
RPS6KA3 P51812 1/20 0.35
PRKCD Q05655 1/20 0.35

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 0.92 CHRNA7 (0.47) KCNH2CHRNA7SOS1SLC6A2SLC6A3
SCHEMBL744341 0.84 CHRNA7 (0.49) KCNH2CHRNA7SLC6A2SLC6A3
SCHEMBL2484827 0.84 CHRNA7 (0.49) KCNH2CHRNA7SLC6A2SLC6A3
SCHEMBL2484828 0.84 CHRNA7 (0.49) KCNH2CHRNA7SLC6A2SLC6A3
SCHEMBL746894 0.83 CHRNA7 (0.57) KCNH2CHRNA7SOS1SLC6A2SLC6A3
SCHEMBL744858 0.82 KCNH2 (0.56) KCNH2CHRNA7SOS1SLC6A2SLC6A3
SCHEMBL16136701 0.82 CHRNA7 (0.50) KCNH2CHRNA7SOS1SLC6A2SLC6A3
SCHEMBL745678 0.82 KCNH2 (0.52) KCNH2CHRNA7ROCK2IRAK4CYP3A4
SCHEMBL745677 0.82 KCNH2 (0.52) KCNH2CHRNA7ROCK2IRAK4CYP3A4
Hydrochloric Acid SCHEMBL746978 0.82 CHRNA7 (0.47) KCNH2CHRNA7SLC6A2SLC6A3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940762-B2 Methods for treating pain ABBVIE INC. (US) 2015-01-27 US claimed
EP-2431368-A1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives Abbott Laboratories (US) 2012-03-21 EP claimed
EP-2018380-B1 Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LAB (US) 2011-10-19 EP claimed
US-20110178121-A1 Methods for Treating Pain ABBOTT LABORATORIES (US) 2011-07-21 US claimed
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 US claimed
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives ABBOTT LABORATORIES (US) 2010-12-02 US claimed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 US claimed
US-8940762-B2 Methods for treating pain ABBVIE INC. (US) 2015-01-27 US disclosed
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-20110178121-A1 Methods for Treating Pain ABBOTT LABORATORIES (US) 2011-07-21 US 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 (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-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 KCNH2 708/4885CHRNA7 2776/4885SOS1 2227/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 KCNH2 708/4885CHRNA7 2776/4885SOS1 2227/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 KCNH2 183/4885CHRNA7 1/4885SOS1 4613/4885

“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.