SCHEMBL13993929

SCHEMBL13993929

CC(=O)N1CC(C)NC(C)C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 10/20 0.60
▸ CHRNA3 P32297 10/20 0.60
▸ CHRNA4 P43681 10/20 0.60
▸ CHRNB3 Q05901 8/20 0.60
▸ CHRNA6 Q15825 8/20 0.60
▸ CHRNB4 P30926 2/20 0.52
▸ CHRNA7 P36544 1/20 0.48
▸ CYP1A2 P05177 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32

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
SCHEMBL19988062 1.00 CHRNB2 (0.60) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13435466 1.00 CHRNB2 (0.60) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24802897 1.00 CHRNB2 (0.60) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23182493 0.80 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1714522 0.80 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7329600 0.80 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1021685 0.80 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21543557 0.80 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15819325 0.80 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL28988671 0.80 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 — — US disclosed
US-20230035133-A1 [1,2,4]Triazolo[4,3-B]Pyridazines For Use in the Treatment of Proliferative Diseases ASTRAZENECA AB (SE) 2023-02-02 — — US disclosed
US-20230035133-A1 [1,2,4]Triazolo[4,3-B]Pyridazines For Use in the Treatment of Proliferative Diseases ASTRAZENECA AB (SE) 2023-02-02 — — US disclosed
WO-2022269508-A1 PYRAZOLYL DERIVATIVES AS INHIBITORS OF THE KRAS MUTANT PROTEIN NOVARTIS AG (CH) 2022-12-29 — — WO disclosed
US-11407755-B2 [1,2,4]triazolo[4,3-b]pyridazines for use in the treatment of proliferative diseases ASTRAZENECA AB (SE) 2022-08-09 — — US disclosed
US-20210107905-A1 1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2021-04-15 — — US disclosed
US-20210107905-A1 1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2021-04-15 — — US disclosed
WO-2021062246-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-04-01 — — WO disclosed
WO-2021055376-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2021-03-25 — — WO disclosed
US-10766905-B2 [1,2,4]triazolo[4,3-B]pyridazines for use in the treatment of proliferative diseases ASTRAZENECA AB (SE) 2020-09-08 — — US disclosed
US-9944650-B2 [1,2,4]triazolo[4,3-B]pyridazines for use in the treatment of proliferative diseases ASTRAZENECA AB (SE) 2018-04-17 — — US disclosed
EP-3174881-B1 [1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2018-03-28 — — EP disclosed
EP-3174881-B1 [1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2018-03-28 — — EP disclosed
US-20170210747-A1 [1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2017-07-27 — — US disclosed
US-20170210747-A1 [1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2017-07-27 — — US disclosed
WO-2016016618-A1 [1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2016-02-04 — — WO disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 — — US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 — — 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 (7 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A CHRNB2 2107/4885CHRNA3 2200/4885CHRNA4 968/4885
US-20210107905-A1 1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES MKI67, CCNB1, BCL2 CHRNB2 4227/4885CHRNA3 4698/4885CHRNA4 4720/4885
US-20170210747-A1 [1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES MKI67, CCNI, CCNB1 CHRNB2 4342/4885CHRNA3 4693/4885CHRNA4 4750/4885
US-11407755-B2 [1,2,4]triazolo[4,3-b]pyridazines for use in the treatment of proliferative diseases MKI67, CCNB1, CCNB2 CHRNB2 4140/4885CHRNA3 4652/4885CHRNA4 4711/4885
US-20230035133-A1 [1,2,4]Triazolo[4,3-B]Pyridazines For Use in the Treatment of Proliferative Diseases MKI67, CCNB1, CCNB2 CHRNB2 4140/4885CHRNA3 4652/4885CHRNA4 4711/4885
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds BMX, ERBB2, FRK CHRNB2 2664/4885CHRNA3 3241/4885CHRNA4 3603/4885
US-10766905-B2 [1,2,4]triazolo[4,3-B]pyridazines for use in the treatment of proliferative diseases MKI67, CCNB1, CCNB2 CHRNB2 4140/4885CHRNA3 4652/4885CHRNA4 4711/4885

“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.

Send feedback