SCHEMBL747644

SCHEMBL747644

CN1[C@@H]2CC[C@H]1C[C@@H](Nc1cncc(-c3cccc4[nH]ccc34)c1)C2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.53
PIP4K2A P48426 1/20 0.48
PIP4K2B P78356 1/20 0.48
PIP4K2C Q8TBX8 1/20 0.48
CHRNA7 P36544 3/20 0.45
KCNH2 Q12809 2/20 0.45
IRAK4 Q9NWZ3 1/20 0.41
PIK3CD O00329 4/20 0.41
ATR Q13535 1/20 0.40
PIK3CB P42338 3/20 0.40
PIM1 P11309 1/20 0.40
GSK3B P49841 1/20 0.40
PIK3CG P48736 1/20 0.39
IDH2 P48735 1/20 0.39
ABL1 P00519 1/20 0.38

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
SCHEMBL747645 1.00 HPGDS (0.53) HPGDSPIP4K2APIP4K2BPIP4K2CCHRNA7
SCHEMBL748910 0.87 IRAK4 (0.43) HPGDSPIP4K2APIP4K2BPIP4K2CCHRNA7
SCHEMBL748909 0.87 IRAK4 (0.43) HPGDSPIP4K2APIP4K2BPIP4K2CCHRNA7
SCHEMBL746815 0.87 CHRNA7 (0.45) HPGDSPIP4K2APIP4K2BPIP4K2CCHRNA7
SCHEMBL746814 0.87 CHRNA7 (0.45) HPGDSPIP4K2APIP4K2BPIP4K2CCHRNA7
SCHEMBL744343 0.82 CHRNA7 (0.48) HPGDSPIP4K2APIP4K2BPIP4K2CCHRNA7
SCHEMBL744342 0.82 CHRNA7 (0.48) HPGDSPIP4K2APIP4K2BPIP4K2CCHRNA7
SCHEMBL743837 0.80 PIP4K2A (0.48) PIP4K2APIP4K2BCHRNA7KCNH2PIK3CD
SCHEMBL743838 0.80 PIP4K2A (0.48) PIP4K2APIP4K2BCHRNA7KCNH2PIK3CD
Fumaric Acid SCHEMBL747078 0.79 CHRNA7 (0.41) HPGDSPIP4K2APIP4K2BPIP4K2CCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGDS 655/4885PIP4K2A 1509/4885PIP4K2B 1580/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 HPGDS 655/4885PIP4K2A 1509/4885PIP4K2B 1580/4885
US-20110178121-A1 Methods for Treating Pain CHRNA7, CHRNA3, CHRNA5 HPGDS 2428/4885PIP4K2A 3629/4885PIP4K2B 3742/4885

“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.