SCHEMBL251128

SCHEMBL251128

NC(=O)C1CCCc2c1[nH]c1ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 13/20 1.00
SIRT2 Q8IXJ6 5/20 1.00
SIRT3 Q9NTG7 2/20 0.68
RECQL P46063 1/20 0.68
BRD3 Q15059 1/20 0.62
RB1 P06400 4/20 0.52
MAPKAPK2 P49137 1/20 0.50
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL8241408 0.96 SIRT1 (0.92) SIRT1SIRT2SIRT3RECQLBRD3
SCHEMBL3484381 0.91 SIRT1 (1.00) SIRT1SIRT2SIRT3RECQLBRD3
SCHEMBL2143575 0.87 SIRT1 (0.77) SIRT1SIRT2SIRT3RECQLBRD3
SCHEMBL1874990 0.86 SIRT1 (0.75) SIRT1SIRT2SIRT3RECQLBRD3
SCHEMBL10877409 0.82 SIRT1 (0.70) SIRT1SIRT2SIRT3RECQLBRD3
SCHEMBL8244015 0.81 SIRT1 (1.00) SIRT1SIRT2SIRT3RECQLMEN1
SCHEMBL4165081 0.81 SIRT1 (0.75) SIRT1SIRT2SIRT3RECQLMEN1
SCHEMBL1870769 0.81 SIRT1 (1.00) SIRT1SIRT2SIRT3RECQLMEN1
SCHEMBL1874310 0.81 SIRT1 (1.00) SIRT1SIRT2SIRT3RECQLMEN1
SCHEMBL1275557 0.81 SIRT1 (1.00) SIRT1SIRT2SIRT3RECQLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677672-B Tetrahydrocarbazole-1-carboxamide derivative and preparation method and application thereof 厦门大学 2024-01-02 CN claimed
CN-115677672-A Tetrahydrocarbazole-1-formamide derivative and preparation method and application thereof 厦门大学 2023-02-03 CN claimed
JP-2008509909-A 2008-04-03 JP claimed
EP-1778252-A2 NONCARDIOTOXIC PHARMACEUTICAL COMPOUNDS Barbeau, Donald L. (US) 2007-05-02 EP claimed
WO-2006020573-A2 NONCARDIOTOXIC PHARMACEUTICAL COMPOUNDS BARBEAU DONALD L (US) 2006-02-23 WO claimed
US-20060035863-A1 Noncardiotoxic pharmaceutical compounds B&G PARTNERS, LLC 2006-02-16 US claimed
CN-115677672-B Tetrahydrocarbazole-1-carboxamide derivative and preparation method and application thereof 厦门大学 2024-01-02 CN disclosed
CN-115677672-B Tetrahydrocarbazole-1-carboxamide derivative and preparation method and application thereof 厦门大学 2024-01-02 CN disclosed
CN-115677672-B Tetrahydrocarbazole-1-carboxamide derivative and preparation method and application thereof 厦门大学 2024-01-02 CN disclosed
US-11591314-B2 Process for preparing tetrahydrocarbazole carboxamide compound BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-28 US disclosed
US-11591314-B2 Process for preparing tetrahydrocarbazole carboxamide compound BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-28 US disclosed
CN-115677672-A Tetrahydrocarbazole-1-formamide derivative and preparation method and application thereof 厦门大学 2023-02-03 CN disclosed
CN-115677672-A Tetrahydrocarbazole-1-formamide derivative and preparation method and application thereof 厦门大学 2023-02-03 CN disclosed
WO-2005072408-A2 TREATING A VIRAL DISORDER ELIXIR PHARMACEUTICALS, INC (US) 2005-08-11 WO disclosed
WO-2005026112-A2 METHODS OF TREATING A DISORDER ELIXIR PHARMACEUTICALS, INC. (US) 2005-03-24 WO disclosed
US-6175015-B1 USEFUL IN THE TREATMENT OF SCHIZOPHRENIA, DEPRESSION, ALZHEIMER'S DISEASE, PARKINSON'S DISEASE AND OTHER DISORDERS THAT RESPOND TO DOPAMINERGIC BLOCKADE, AND FOR TREATING SIDE EFFECTS OF NEUROLEPTIC AGENTS NEUROGEN CORPORATION 2001-01-16 US disclosed
EP-0923574-A1 FUSED INDOLECARBOXAMIDES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-06-23 EP disclosed
US-5892041-A NERVOUS SYTEM AND PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION (US) 1999-04-06 US disclosed
WO-1998006717-A9 FUSED INDOLECARBOXAMIDES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS 1998-07-23 WO disclosed
WO-1998006717-A1 FUSED INDOLECARBOXAMIDES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1998-02-19 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-20060035863-A1 Noncardiotoxic pharmaceutical compounds KCNN3, TNNI3, TNNT2 SIRT1 4291/4885SIRT2 4734/4885SIRT3 4269/4885
US-11591314-B2 Process for preparing tetrahydrocarbazole carboxamide compound CYP2C8, CYP3A7, PARP8 SIRT1 1020/4885SIRT2 949/4885SIRT3 1001/4885

“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.