SCHEMBL4630955

SCHEMBL4630955

CCC(=O)N1[CH]CNCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.35
CHRNA3 P32297 4/20 0.35
CHRNA4 P43681 4/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA7 P36544 2/20 0.35
ALDH1A1 P00352 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNB3 Q05901 2/20 0.32
CHRNA6 Q15825 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
BLM P54132 1/20 0.32
GAA P10253 1/20 0.30

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
SCHEMBL4630647 0.85 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4ALDH1A1CHRNB3
SCHEMBL603100 0.82
SCHEMBL3889279 0.78 TSHR (0.37) ALDH1A1GAA
Hydrochloric Acid SCHEMBL27699750 0.77 TSHR (0.36) ALDH1A1GAA
SCHEMBL6961571 0.75
SCHEMBL7786235 0.74 KMT2A (0.38) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL3891537 0.73 CHRNB2 (0.35) CHRNB2CHRNA3CHRNA4CHRNB4CHRM3
SCHEMBL1476813 0.71
SCHEMBL2646081 0.69
SCHEMBL1225130 0.69 USP2 (0.39) CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US claimed
US-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-07-06 US claimed
EP-4166553-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-04-19 EP claimed
CN-115916759-A Substituted quinazoline compound, preparation method, pharmaceutical composition and application thereof 南京红云生物科技有限公司 2023-04-04 CN claimed
WO-2023011610-A1 BENZODIOXANE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 南京红云生物科技有限公司 2023-02-09 WO claimed
CN-115697996-A Alkenyl pyrimidine compound, preparation method and application thereof 南京红云生物科技有限公司 2023-02-03 CN claimed
WO-2021254464-A1 SUBSTITUTED QUINAZOLINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 南京红云生物科技有限公司 2021-12-23 WO claimed
WO-2021238827-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京红云生物科技有限公司 2021-12-02 WO claimed
CN-113717156-A EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2021-11-30 CN claimed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
US-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-07-06 US disclosed
CN-113717156-B EGFR inhibitor, preparation method and application thereof 南京红云生物科技有限公司 2023-05-09 CN disclosed
EP-4166553-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-04-19 EP disclosed
CN-115916759-A Substituted quinazoline compound, preparation method, pharmaceutical composition and application thereof 南京红云生物科技有限公司 2023-04-04 CN disclosed
CN-102558140-A Derivatives of 4-piperazin-1-1-yl-4-benzo [b] thiophene suitable for the treatment of cns disorders OTSUKA PHARMA CO LTD 2012-07-11 CN disclosed
CN-101258147-A 4-piperazin-1-yl-4-benzo [ B ] thiophene derivatives for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
EP-0997466-A1 Novel antimicrobial lactam-quinolones PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 2000-05-03 EP disclosed
EP-0366189-A2 Novel antimicrobial lactam-quinolones Norwich Eaton Pharmaceuticals, Inc. (US) 1990-05-02 EP 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 (2 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-20230212147-A1 ALKENYL PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE1, EGFR, WEE2 CHRNB2 4846/4885CHRNA3 4807/4885CHRNA4 4798/4885
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 CHRNB2 4784/4885CHRNA3 4847/4885CHRNA4 4871/4885

“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.