SCHEMBL25214176

SCHEMBL25214176

COC(=O)C(Cc1ccccn1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRA P18433 1/20 0.53
▸ HDAC6 Q9UBN7 4/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ GRIN2D O15399 1/20 0.50
▸ GRIN3B O60391 1/20 0.50
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2A Q12879 1/20 0.50
▸ GRIN2B Q13224 1/20 0.50
▸ GRIN2C Q14957 1/20 0.50
▸ GRIN3A Q8TCU5 1/20 0.50
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ PGR P06401 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ PTGS1 P23219 1/20 0.46

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
SCHEMBL7829956 0.83 PTPRA (0.65) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7829954 0.83 PTPRA (0.65) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5862097 0.80 EPHX1 (0.60) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27628033 0.79 PTPRA (0.55) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30099741 0.79 HDAC6 (0.53) PTPRAHDAC6HDAC1GRIN2DGRIN3B
SCHEMBL19699148 0.79 HDAC6 (0.53) PTPRAHDAC6HDAC1GRIN2DGRIN3B
SCHEMBL10724996 0.79 HDAC6 (0.53) PTPRAHDAC6HDAC1GRIN2DGRIN3B
SCHEMBL2058837 0.79 HDAC6 (0.53) PTPRAHDAC6HDAC1GRIN2DGRIN3B
SCHEMBL29099497 0.78 ALDH1A1 (0.50) KMT2ASMN1; SMN2LMNARAB9AESR1
SCHEMBL8431597 0.78 KMT2A (0.46) KMT2ASMN1; SMN2NPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12629359-B2 Structural analogues of methylphenidate as Parkinson's disease-modifying agents UNIVERSITA' DEGLI STUDI DI BRESCIA (IT) 2026-05-19 — — US disclosed
US-20230263791-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2023-08-24 — — US disclosed
US-20230263791-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2023-08-24 — — US disclosed
US-20230263791-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2023-08-24 — — US disclosed
EP-4192456-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS Universita' degli studi di Brescia (IT) 2023-06-14 — — EP disclosed
WO-2022029151-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS UNIVERSITA' DEGLI STUDI DI BRESCIA (IT) 2022-02-10 — — 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 (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-12629359-B2 Structural analogues of methylphenidate as Parkinson's disease-modifying agents SNCA, SYNJ1, PARK7 PTPRA 160/4885HDAC6 2156/4885HDAC1 3486/4885
US-20230263791-A1 STRUCTURAL ANALOGUES OF METHYLPHENIDATE AS PARKINSON'S DISEASE-MODIFYING AGENTS SNCA, PARK7, SYNJ1 PTPRA 398/4885HDAC6 392/4885HDAC1 1939/4885

“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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