SCHEMBL748003

SCHEMBL748003

CN1C2CCC1CC(Nc1cncc(Br)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.43
CHRNA4 P43681 4/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
HRH1 P35367 1/20 0.43
CHRNA7 P36544 1/20 0.43
HTR3A P46098 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KAT2B Q92831 1/20 0.42
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
CXCR3 P49682 1/20 0.36
CHRM1 P11229 3/20 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
SCHEMBL748002 1.00 CHRNB2 (0.43) CHRNB2CHRNA4HTR3EHTR3BCHRM4
SCHEMBL19947433 0.82 RIPK2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CXCR3
SCHEMBL19947431 0.82 RIPK2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CXCR3
SCHEMBL22574279 0.79 SMYD3 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23501662 0.79 POLB (0.47) CHRNB2CHRNA4CHRNB4CHRNA3KAT2B
SCHEMBL29934046 0.79 POLB (0.47) CHRNB2CHRNA4CHRNB4CHRNA3KAT2B
SCHEMBL748393 0.78 HTR3E (0.50) CHRNB2CHRNA4HTR3EHTR3BCHRM4
SCHEMBL748392 0.78 HTR3E (0.50) CHRNB2CHRNA4HTR3EHTR3BCHRM4
SCHEMBL3515522 0.76 ALDH1A1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23501595 0.74 KCNH2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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 CHRNB2 2585/4885CHRNA4 3022/4885HTR3E 2605/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 CHRNB2 2585/4885CHRNA4 3022/4885HTR3E 2605/4885

“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.