SCHEMBL21074616

SCHEMBL21074616

c1c2c(cc3nc4c(nc13)CCCC4)C1CNCC2C1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 11/20 0.64
▸ CHRNA4 P43681 11/20 0.64
▸ CHRNB4 P30926 3/20 0.58
▸ CHRNA3 P32297 3/20 0.58
▸ CHRNA1 P02708 1/20 0.58
▸ ESR1 P03372 1/20 0.58
▸ CHRNG P07510 1/20 0.58
▸ CHRNB1 P11230 1/20 0.58
▸ CHRNA5 P30532 1/20 0.58
▸ CHRNA7 P36544 1/20 0.58
▸ HTR3A P46098 1/20 0.58
▸ CHRND Q07001 1/20 0.58
▸ CHRNA2 Q15822 1/20 0.58

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
SCHEMBL23153171 0.78 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL29363551 0.73 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL29710884 0.73 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL5959022 0.73 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL225687 0.73 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL14003841 0.73 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL137144 0.73 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL29761231 0.72 CHRNB2 (0.70) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL6886940 0.72 CHRNB2 (0.70) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Varenicline SCHEMBL20553851 0.72 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206831-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE HOWARD HUGHES MEDICAL INSTITUTE 2021-07-08 — — US disclosed
US-10961296-B2 Modified ligand-gated ion channels and methods of use HOWARD HUGHES MEDICAL INSTITUTE (US) 2021-03-30 — — US disclosed
US-20190169264-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE HOWARD HUGHES MEDICAL INSTITUTE 2019-06-06 — — 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 (3 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-20210206831-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE GRIK4, GRIK2, GRIK5 CHRNB2 83/4885CHRNA4 64/4885CHRNB4 78/4885
US-20190169264-A1 MODIFIED LIGAND-GATED ION CHANNELS AND METHODS OF USE GRIK4, GRIK2, GRIK5 CHRNB2 83/4885CHRNA4 64/4885CHRNB4 78/4885
US-10961296-B2 Modified ligand-gated ion channels and methods of use GRIK4, GRIK2, GRIK5 CHRNB2 83/4885CHRNA4 64/4885CHRNB4 78/4885

“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.

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