SCHEMBL26666452

SCHEMBL26666452

CN(C)c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.56
▸ GRIA1 P42261 2/20 0.50
▸ CACNG8 Q8WXS5 2/20 0.50
▸ PDE3B Q13370 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ PDK2 Q15119 1/20 0.48
▸ EPHX2 P34913 2/20 0.47
▸ PGR P06401 4/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ CMA1 P23946 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ EIF2AK2 P19525 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42

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
SCHEMBL29859998 1.00 AHR (0.56) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL2078536 0.82 AHR (0.49) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL28408499 0.82 AHR (0.49) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL9096698 0.81 AHR (0.51) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL9922267 0.79 TDP2 (0.58) —
SCHEMBL15668600 0.77 AHR (0.46) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL4890646 0.76 KIF11 (0.62) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL29643007 0.76 BRD4 (0.48) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL433708 0.76 AHR (0.61) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL16815705 0.75 AHR (0.44) AHRGRIA1CACNG8PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF ITGB7, ITGB4, ITGA4 AHR 1172/4885GRIA1 796/4885CACNG8 467/4885

“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.

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