SCHEMBL744342

SCHEMBL744342

CN1[C@@H]2CC[C@H]1C[C@@H](Nc1ccc(-c3cccc4[nH]ccc34)nc1)C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.48
PIK3CA P42336 2/20 0.43
MTOR P42345 2/20 0.43
KCNH2 Q12809 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.40
IDH2 P48735 1/20 0.39
BRD4 O60885 1/20 0.38
CDK9 P50750 1/20 0.38
ATR Q13535 4/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
HPGDS O60760 1/20 0.36
PIP4K2A P48426 1/20 0.36
PIP4K2B P78356 1/20 0.36
PIP4K2C Q8TBX8 1/20 0.36

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
SCHEMBL744343 1.00 CHRNA7 (0.48) CHRNA7PIK3CAMTORKCNH2IRAK4
Fumaric Acid SCHEMBL990089 0.92 CHRNA7 (0.42) CHRNA7PIK3CAMTORKCNH2HTR3E
Fumaric Acid SCHEMBL990090 0.92 CHRNA7 (0.42) CHRNA7PIK3CAMTORKCNH2HTR3E
SCHEMBL746815 0.84 CHRNA7 (0.45) CHRNA7KCNH2IRAK4IDH2ATR
SCHEMBL746814 0.84 CHRNA7 (0.45) CHRNA7KCNH2IRAK4IDH2ATR
SCHEMBL747645 0.82 HPGDS (0.53) CHRNA7KCNH2IRAK4IDH2ATR
SCHEMBL747644 0.82 HPGDS (0.53) CHRNA7KCNH2IRAK4IDH2ATR
SCHEMBL745851 0.80 CHRNA7 (0.49) CHRNA7PIK3CAMTORKCNH2IDH2
SCHEMBL748909 0.80 IRAK4 (0.43) CHRNA7KCNH2IRAK4IDH2ATR
SCHEMBL748910 0.80 IRAK4 (0.43) CHRNA7KCNH2IRAK4IDH2ATR

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-8940762-B2 Methods for treating pain ABBVIE INC. (US) 2015-01-27 US 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-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 CHRNA7 2776/4885PIK3CA 588/4885MTOR 861/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 CHRNA7 2776/4885PIK3CA 588/4885MTOR 861/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 CHRNA7 1/4885PIK3CA 4136/4885MTOR 4838/4885

“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.