SCHEMBL6477997

SCHEMBL6477997

C1CC2CCC1CC2.c1cc(-c2ccc(OC3CN4CCC3CC4)nn2)c2cc[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.61
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 5/20 0.39
HTR3A P46098 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
PIK3CD O00329 1/20 0.38
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CNR2 P34972 1/20 0.35

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
SCHEMBL373301 0.97 CHRNA7 (0.64) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
Fumaric Acid SCHEMBL1542643 0.89 CHRNA7 (0.55) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
Fumaric Acid SCHEMBL1542650 0.89 CHRNA7 (0.55) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL1542416 0.84 CHRNA7 (0.58) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL1542668 0.84 CHRNA7 (0.58) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL1542646 0.84 CHRNA7 (0.58) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL3844217 0.81 CHRNA7 (0.55) CHRNA7
SCHEMBL3846223 0.81 CHRNA7 (0.55) CHRNA7
Fumaric Acid SCHEMBL1542710 0.77 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
Fumaric Acid SCHEMBL1542521 0.77 CHRNA7 (0.50) CHRNA7CHRNB2CHRNA4HTR3AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2005-06-23 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-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885CHRNB2 12/4885CHRNA4 9/4885

“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.