SCHEMBL2269040

SCHEMBL2269040

CC1(C)C(=O)Nc2c(Cl)cccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.61
PDK4 Q16654 3/20 0.59
PDK1 Q15118 1/20 0.59
PDK3 Q15120 1/20 0.59
PDE7A Q13946 1/20 0.45
PDE7B Q9NP56 1/20 0.45
PGR P06401 3/20 0.44
NSD2 O96028 1/20 0.43
BCHE P06276 1/20 0.43
DAO P14920 1/20 0.43
CES1 P23141 1/20 0.43
AHR P35869 1/20 0.42
LCK P06239 5/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TGM2 P21980 1/20 0.37

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
SCHEMBL11729336 0.81 PDE7A (0.43) PDK2PDK4PDK1PDK3PDE7A
SCHEMBL23835844 0.79 PDE7A (0.41) PDK2PDK4PDK1PDK3PDE7A
SCHEMBL23836091 0.79 PDE7A (0.41) PDK2PDK4PDK1PDK3PDE7A
SCHEMBL2264510 0.78 PDK2 (0.62) PDK2PDK4PDK1PDK3PDE7A
SCHEMBL7477188 0.78 NSD2 (0.53) PDK2PDK4PDK1PDK3PGR
SCHEMBL10828239 0.77 PDK2 (0.61) PDK2PDK4PDK1PDK3PGR
SCHEMBL3138211 0.77 PDK2 (0.61) PDK2PDK4PDK1PDK3PDE7A
SCHEMBL31117008 0.77 PDK2 (0.61) PDK2PDK4PDK1PDK3PDE7A
SCHEMBL28391910 0.77 PDE7A (0.45) PDK2PDK4PDK1PDK3PDE7A
SCHEMBL10470225 0.76 PDK2 (0.59) PDK2PDK4PDK1PDK3PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676590-A1 PHOSPHODIESTERASE 3 (PDE3) INHIBITORS Zoetis Services LLC (US) 2026-01-14 EP disclosed
US-20240308973-A1 PHOSPHODIESTERASE 3 (PDE3) INHIBITORS ZOETIS SERVICES LLC 2024-09-19 US disclosed
WO-2024191714-A1 PHOSPHODIESTERASE 3 (PDE3) INHIBITORS ZOETIS SERVICES LLC (US) 2024-09-19 WO disclosed
US-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF HANGZHOU APELOA MEDICINE RESEARCH INSTITUTE CO., LTD. (CN) 2024-05-09 US disclosed
EP-4282865-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Hangzhou Apeloa Medicine Research Institute Co., Ltd. (CN) 2023-11-29 EP disclosed
EP-4282865-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Hangzhou Apeloa Medicine Research Institute Co., Ltd. (CN) 2023-11-29 EP disclosed
CN-116997550-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same and application thereof 杭州普洛药物研究院有限公司 2023-11-03 CN disclosed
CN-114853659-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same, and uses thereof 普洛药业股份有限公司 2022-08-05 CN disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 WO disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 WO 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 (3 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-20240308973-A1 PHOSPHODIESTERASE 3 (PDE3) INHIBITORS PDE3A, PDE3B, PDE5A PDK2 2179/4885PDK4 1425/4885PDK1 1737/4885
US-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF ITGB7, ITGB4, ITGA4 PDK2 1887/4885PDK4 1777/4885PDK1 3262/4885
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, CRH PDK2 2556/4885PDK4 2817/4885PDK1 3566/4885

“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.