SCHEMBL743845

SCHEMBL743845

CN1C2CCC1CC(OC(=O)c1ccc([N+](=O)[O-])cc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 1.00
HTR3E A5X5Y0 3/20 0.68
HTR3B O95264 3/20 0.68
HTR3A P46098 3/20 0.68
HTR3D Q70Z44 3/20 0.68
HTR3C Q8WXA8 3/20 0.68
CHRNA7 P36544 1/20 0.68
CYP2D6 P10635 5/20 0.67
CYP2C19 P33261 3/20 0.67
LMNA P02545 1/20 0.67
PTPN2 P17706 1/20 0.60
PTPN1 P18031 1/20 0.60
CYP1A2 P05177 2/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
NR1I2 O75469 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 2/20 0.58
ALDH1A1 P00352 1/20 0.58
GMNN O75496 1/20 0.58

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
SCHEMBL3977630 0.95 POLB (0.90) POLBHTR3EHTR3BHTR3AHTR3D
SCHEMBL3977633 0.95 POLB (0.90) POLBHTR3EHTR3BHTR3AHTR3D
SCHEMBL23086436 0.87 POLB (0.77) POLBHTR3EHTR3BHTR3AHTR3D
SCHEMBL23086434 0.87 POLB (0.77) POLBHTR3EHTR3BHTR3AHTR3D
SCHEMBL23086437 0.87 POLB (0.77) POLBHTR3EHTR3BHTR3AHTR3D
SCHEMBL2770045 0.87 POLB (0.77) POLBHTR3EHTR3BHTR3AHTR3D
SCHEMBL636578 0.84 POLB (0.72) POLBCYP2D6CYP2C19LMNAPTPN2
SCHEMBL16457010 0.84 POLB (0.72) POLBCYP2D6CYP2C19LMNAPTPN2
SCHEMBL636577 0.84 POLB (0.72) POLBCYP2D6CYP2C19LMNAPTPN2
SCHEMBL636579 0.84 POLB (0.72) POLBCYP2D6CYP2C19LMNAPTPN2

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 12 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-2431368-B1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBVIE BAHAMAS LTD (BS) 2014-08-27 EP 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 853/4885HTR3E 2400/4885HTR3B 2191/4885
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 POLB 727/4885HTR3E 2605/4885HTR3B 2524/4885
US-20110124676-A1 BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, AADAC, ALK POLB 853/4885HTR3E 2400/4885HTR3B 2191/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 POLB 727/4885HTR3E 2605/4885HTR3B 2524/4885

“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.