SCHEMBL23074716

SCHEMBL23074716

c1cncc(OCCN(CCOc2cccnc2)C2CCCCCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 8/20 0.58
▸ CHRNA4 P43681 8/20 0.58
▸ CHRNA3 P32297 3/20 0.47
▸ CHRNA7 P36544 3/20 0.47
▸ CHRNA1 P02708 2/20 0.47
▸ CHRNB1 P11230 2/20 0.47
▸ CHRNB4 P30926 2/20 0.47
▸ CHRNG P07510 1/20 0.47
▸ CHRND Q07001 1/20 0.47
▸ CHRNB3 Q05901 1/20 0.46

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
SCHEMBL23074685 0.86 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL23074701 0.82 ALDH1A1 (0.43) CHRNB2CHRNA4
SCHEMBL23074699 0.82 ALDH1A1 (0.43) CHRNB2CHRNA4
SCHEMBL23074671 0.82 ALDH1A1 (0.53) —
SCHEMBL22831347 0.77 CHRNB2 (0.87) CHRNB2CHRNA4
SCHEMBL23074673 0.74 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL23074657 0.74 SLC6A2 (0.40) —
SCHEMBL23074711 0.74 MEN1 (0.52) —
SCHEMBL28049595 0.74 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNA7CHRNA1
SCHEMBL23074695 0.74 ALDH1A1 (0.49) —

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-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS BIO-RAD LABORATORIES, INC. 2021-03-11 — — 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-20210069692-A1 ANIONIC EXCHANGE-HYDROPHOBIC MIXED MODE CHROMATOGRAPHY RESINS ABCG2, SLC7A1, MSR1 CHRNB2 2691/4885CHRNA4 2081/4885CHRNA3 2126/4885

“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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