SCHEMBL743844

SCHEMBL743844

CN1C2CCC1CC(c1cc([N+](=O)[O-])ccc1C(=O)O)C2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HTT P42858 2/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HIF1A Q16665 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL22123315 0.83 ALDH1A1 (0.57) HTTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL3467997 0.80 CHRM1 (0.43)
SCHEMBL3467999 0.80 CHRM1 (0.43)
SCHEMBL1918784 0.78 ALDH1A1 (0.54) HTTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL19742164 0.74 DRD2 (0.46) HTTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL29226874 0.73 MPO (0.47) HTTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL29226876 0.73 MPO (0.47) HTTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL600719 0.73 ALDH1A1 (0.38) HTTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL17911484 0.73 HTT (0.42) HTTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL17911485 0.73 HTT (0.42) HTTALDH1A1CYP3A4ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853241-B2 Biaryl substituted azabicyclic alkane derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
EP-2280010-B1 Biaryl substituted azabicyclic alkane derivatives as nicotinic acetylcholine receptor activity modulators ABBOTT LAB (US) 2012-12-19 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-20110124676-A1 BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2011-05-26 US disclosed
US-7902222-B2 Biaryl substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-03-08 US disclosed
EP-2280010-A2 Biaryl substituted azabicyclic alkane derivatives as nicotinic acetylcholine receptor activity modulators Abbott Laboratories (US) 2011-02-02 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-20090192186-A1 BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2009-07-30 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 (4 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-20090192186-A1 BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, AADAC, ALK POLB 853/4885HTT 2106/4885ALDH1A1 128/4885
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 POLB 727/4885HTT 1970/4885ALDH1A1 694/4885
US-20110124676-A1 BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, AADAC, ALK POLB 853/4885HTT 2106/4885ALDH1A1 128/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 POLB 727/4885HTT 1970/4885ALDH1A1 694/4885

“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.