Cytisinicline

Cytisinicline

SCHEMBL13595657

O=c1cccc2n1CC1CNC[C@@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CHRNA4CHRNB2

The experimentally established mechanism targets of Cytisinicline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 known ✓ P17787 12/20 1.00
CHRNA4 known ✓ P43681 12/20 1.00
CHRNB4 P30926 9/20 1.00
CHRNA3 P32297 9/20 1.00
CHRNA7 P36544 4/20 1.00
CHRNA1 P02708 4/20 1.00
CHRNG P07510 4/20 1.00
CHRNB1 P11230 4/20 1.00
CHRND Q07001 4/20 1.00
KDM4E B2RXH2 2/20 1.00
CYP3A4 P08684 2/20 1.00
MEN1 O00255 1/20 1.00
LMNA P02545 1/20 1.00
CYP1A2 P05177 1/20 1.00
MAPT P10636 1/20 1.00
KMT2A Q03164 1/20 1.00

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
Cytisinicline SCHEMBL8309064 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL1500421 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL14870500 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL472026 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL161398 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL19877933 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL29903945 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL1500403 0.93 CHRNB2 (0.86) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL20680760 0.91 CHRNB2 (0.82) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL20680750 0.89 CHRNB2 (0.80) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203038-A1 4-SUBSTITUED CYTISINE ANALOGUES THE UNIVERSITY OF BRISTOL (GB) 2023-06-29 US disclosed
US-20230203038-A1 4-SUBSTITUED CYTISINE ANALOGUES THE UNIVERSITY OF BRISTOL (GB) 2023-06-29 US disclosed
US-11667638-B2 4-substitued cytisine analogues THE UNIVERSITY OF BRISTOL 2023-06-06 US disclosed
US-11667638-B2 4-substitued cytisine analogues THE UNIVERSITY OF BRISTOL 2023-06-06 US disclosed
US-20200172544-A1 COMPOUNDS THE UNIVERSITY OF BRISTOL (GB) 2020-06-04 US disclosed
US-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders YALE UNIVERISTY (US) 2009-12-24 US disclosed
US-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders YALE UNIVERISTY (US) 2009-12-24 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 (4 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-11667638-B2 4-substitued cytisine analogues CES2, CDA, PCYT1A CHRNB2 48/4885CHRNA4 7/4885CHRNB4 21/4885
US-20230203038-A1 4-SUBSTITUED CYTISINE ANALOGUES CES2, CDA, PCYT1A CHRNB2 48/4885CHRNA4 7/4885CHRNB4 21/4885
US-20200172544-A1 COMPOUNDS CES2, CYCS, CHKB CHRNB2 51/4885CHRNA4 24/4885CHRNB4 41/4885
US-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders CHRNA1, CHRNA5, CHRNA10 CHRNB2 13/4885CHRNA4 6/4885CHRNB4 16/4885

“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.