SCHEMBL990629

SCHEMBL990629

CN1CCCCCCCCCCC2CCC1CC(Oc1cncc(-c3ccc4[nH]ccc4c3)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.41
KCNH2 Q12809 4/20 0.41
CHRNB2 P17787 10/20 0.40
CHRNB4 P30926 10/20 0.40
CHRNA3 P32297 10/20 0.40
CHRNB1 P11230 9/20 0.40
CHRNB3 Q05901 9/20 0.40
CHRNA4 P43681 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
PIP4K2A P48426 1/20 0.37
PIP4K2B P78356 1/20 0.37
LTA4H P09960 1/20 0.36
PRKCQ Q04759 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL744681 0.85 CHRNA7 (0.46) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL746349 0.84 CHRNA7 (0.45) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL2484828 0.69 CHRNA7 (0.49) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL2484827 0.69 CHRNA7 (0.49) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL744341 0.69 CHRNA7 (0.49) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL31317869 0.69 CYP11B1 (0.63) PIP4K2APIP4K2BPRKCQ
Hydrochloric Acid SCHEMBL2484675 0.68 FYN (0.47) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL744366 0.68 CHRNA7 (0.53) CHRNA7KCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL1177376 0.67 SLC6A2 (0.54) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1177375 0.67 SLC6A2 (0.54) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 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 (1 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 CHRNA7 2776/4885KCNH2 708/4885CHRNB2 2585/4885

“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.