SCHEMBL989954

SCHEMBL989954

CN1C2CCC1CC(Oc1ccc(-c3ccc(N)cc3)nc1)C2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CHRNA7 P36544 1/20 0.44
OPRK1 P41145 1/20 0.43
HRH3 Q9Y5N1 4/20 0.37
KDM1A O60341 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
Trifluoroacetic Acid SCHEMBL750049 0.89 SLC6A2 (0.43) SLC6A2SLC6A3CHRNA7OPRK1CHRM2
SCHEMBL1022636 0.82 SLC6A3 (0.72) SLC6A2SLC6A3OPRK1CHRM2CHRM4
SCHEMBL1022638 0.82 SLC6A3 (0.72) SLC6A2SLC6A3OPRK1CHRM2CHRM4
SCHEMBL2100555 0.82 SLC6A3 (0.72) SLC6A2SLC6A3OPRK1CHRM2CHRM4
SCHEMBL20540675 0.82 SLC6A3 (0.72) SLC6A2SLC6A3OPRK1CHRM2CHRM4
SCHEMBL746332 0.81 CHRNA7 (0.48) SLC6A2SLC6A3CHRNA7OPRK1KDM1A
Hydrochloric Acid SCHEMBL746978 0.80 CHRNA7 (0.47) SLC6A2SLC6A3CHRNA7OPRK1KDM1A
SCHEMBL2484827 0.80 CHRNA7 (0.49) SLC6A2SLC6A3CHRNA7
SCHEMBL744341 0.80 CHRNA7 (0.49) SLC6A2SLC6A3CHRNA7
SCHEMBL2484828 0.80 CHRNA7 (0.49) SLC6A2SLC6A3CHRNA7

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 5 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-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 SLC6A2 2602/4885SLC6A3 2587/4885CHRNA7 2776/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 SLC6A2 2602/4885SLC6A3 2587/4885CHRNA7 2776/4885

“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.