Cytisinicline

Cytisinicline

SCHEMBL20680760

CS(=O)(=O)O.O=c1cccc2n1C[C@@H]1CNC[C@H]2C1

nearest known ligand 0.82

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 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 known ✓ P17787 10/20 0.82
CHRNA4 known ✓ P43681 10/20 0.82
CHRNB4 P30926 8/20 0.82
CHRNA3 P32297 8/20 0.82
CHRNA7 P36544 4/20 0.82
KDM4E B2RXH2 2/20 0.82
CYP3A4 P08684 2/20 0.82
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
CHRNA1 P02708 2/20 0.82
CHRNG P07510 2/20 0.82
CHRNB1 P11230 2/20 0.82
CHRND Q07001 2/20 0.82
LMNA P02545 1/20 0.82
CYP1A2 P05177 1/20 0.82
MAPT P10636 1/20 0.82
TDP1 Q9NUW8 1/20 0.53

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 SCHEMBL1500403 0.95 CHRNB2 (0.86) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL161398 0.91 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL14870500 0.91 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL8309064 0.91 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL1500421 0.91 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL13595657 0.91 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL472026 0.91 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL19877933 0.89 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL29903945 0.89 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Cytisinicline SCHEMBL20680750 0.84 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380369-A1 CYTISINE SALTS ACHIEVE LIFE SCIENCES, INC. 2022-12-01 US disclosed
US-11459328-B2 Cytisine salts ACHIEVE PHARMA UK LIMITED 2022-10-04 US disclosed
US-20200190085-A1 CYTISINE SALTS ACHIEVE PHARMA UK LIMITED (GB) 2020-06-18 US disclosed
CN-111278826-A Wild indigo base salt 英国雅琪制药有限公司 2020-06-12 CN disclosed
EP-3658561-A1 CYTISINE SALTS Achieve Pharma UK Limited (GB) 2020-06-03 EP disclosed
WO-2019020993-A1 CYTISINE SALTS ACHIEVE PHARMA UK LIMITED (GB) 2019-01-31 WO disclosed