SCHEMBL6908685

SCHEMBL6908685

C#Cc1ccc2c(c1)C1CNCC2C1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 14/20 0.70
CHRNA4 P43681 14/20 0.70
CHRNB4 P30926 9/20 0.70
CHRNA3 P32297 9/20 0.70
CHRNA1 P02708 3/20 0.70
CHRNG P07510 3/20 0.70
CHRNB1 P11230 3/20 0.70
CHRND Q07001 3/20 0.70
ESR1 P03372 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA7 P36544 1/20 0.44
HTR3A P46098 1/20 0.44
CHRNA2 Q15822 1/20 0.44

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
SCHEMBL4412259 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL4408107 0.81 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL2062192 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4406668 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4405016 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4406586 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4406458 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL29761232 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL5767352 0.71 CHRNB2 (0.81) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL5535154 0.70 CHRNB2 (0.96) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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-20040082555-A1 Use of gaba, inverse agonists in combination with nicotine receptor partial agonist, estrogen, selective estrogen modulators, or vitamin E for the treatment of cognitive disorders PFIZER INC 2004-04-29 US claimed

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-20040082555-A1 Use of gaba, inverse agonists in combination with nicotine receptor partial agonist, estrogen, selective estrogen modulators, or vitamin E for the treatment of cognitive disorders CHRNE, CHRNA10, GABRE CHRNB2 16/4885CHRNA4 10/4885CHRNB4 11/4885

“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.