SCHEMBL21543575

SCHEMBL21543575

O=C(O)N1C[C@H]2CC[C@@H]1CN2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.49
CHRNA4 P43681 7/20 0.49
CHRNA3 P32297 5/20 0.49
CHRNB3 Q05901 2/20 0.49
CHRNA6 Q15825 2/20 0.49
HDAC1 Q13547 1/20 0.34
CHRNB4 P30926 3/20 0.33
CHRNA7 P36544 3/20 0.33
IRAK4 Q9NWZ3 9/20 0.31

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
SCHEMBL18125978 1.00 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL6626310 1.00 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL2726068 1.00 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL5317301 0.98 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL12356593 0.84 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL13761212 0.82 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL12141565 0.82 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL744840 0.82 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL12356596 0.82 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL18049548 0.82 CHRNB2 (0.40) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-02-15 US disclosed
US-20240034733-A1 KRAS G12D INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-02-01 US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
EP-3788038-B1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC (US) 2023-10-11 EP disclosed
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 US disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-08-31 US disclosed
EP-4223761-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-08-09 EP disclosed
WO-2023132369-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT 中外製薬株式会社 2023-07-13 WO disclosed
US-20230052017-A1 New compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-02-16 US disclosed
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-12-15 US disclosed
US-20220389033-A1 HETERO-BICYCLIC INHIBITORS OF KRAS INCYTE CORPORATION 2022-12-08 US disclosed
EP-4065107-A1 NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2022-10-05 EP disclosed
WO-2022068921-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-04-07 WO disclosed
US-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 US disclosed
WO-2021105481-A1 NOVEL COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 WO disclosed
WO-2021105474-A1 NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 WO disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 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 (11 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-20240034733-A1 KRAS G12D INHIBITORS KRAS, NRAS, HRAS CHRNB2 4853/4885CHRNA4 4878/4885CHRNA3 4871/4885
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CHRNB2 4683/4885CHRNA4 4853/4885CHRNA3 4842/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CHRNB2 4683/4885CHRNA4 4853/4885CHRNA3 4842/4885
US-20230271953-A1 Novel compounds for treatment of diseases related to DUX4 expression UTRN, ZFX, CBX6 CHRNB2 870/4885CHRNA4 1000/4885CHRNA3 1043/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF CHRNB2 4568/4885CHRNA4 4673/4885CHRNA3 4559/4885
US-20220395504-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CHRNB2 4683/4885CHRNA4 4853/4885CHRNA3 4842/4885
US-20240050430-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CHRNB2 4683/4885CHRNA4 4853/4885CHRNA3 4842/4885
US-20220389033-A1 HETERO-BICYCLIC INHIBITORS OF KRAS KRAS, NRAS, HRAS CHRNB2 4681/4885CHRNA4 4864/4885CHRNA3 4800/4885
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 CHRNB2 3677/4885CHRNA4 3008/4885CHRNA3 2474/4885
US-20230052017-A1 New compounds for treatment of diseases related to DUX4 expression SMN1; SMN2, UTRN, DDX21 CHRNB2 629/4885CHRNA4 768/4885CHRNA3 908/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CHRNB2 4683/4885CHRNA4 4853/4885CHRNA3 4842/4885

“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.