SCHEMBL2086321

SCHEMBL2086321

N#Cc1ccc2c(c1)CCC(=O)C2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
CYP2A6 P11509 1/20 0.48
PNMT P11086 6/20 0.47
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM1A O60341 2/20 0.39
CYP19A1 P11511 1/20 0.38
CASP3 P42574 1/20 0.37
TRPA1 O75762 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL30018898 1.00 DRD2 (0.51) DRD2DRD3CYP2A6PNMTCYP11B1
SCHEMBL2728148 0.93 PNMT (0.51) DRD2DRD3CYP2A6PNMTCYP11B1
SCHEMBL30748420 0.93 PNMT (0.51) DRD2DRD3CYP2A6PNMTCYP11B1
SCHEMBL14824962 0.86 PNMT (0.47) DRD2DRD3PNMTCYP1A2KDM1A
SCHEMBL4972557 0.86 CYP1A2 (0.52) DRD2DRD3CYP2A6CYP11B1CYP11B2
SCHEMBL22872285 0.78 DRD2 (0.51) DRD2DRD3PNMTCYP11B1CYP11B2
SCHEMBL6739755 0.78
Bromide SCHEMBL17202846 0.76 PNMT (0.52) DRD2DRD3CYP2A6PNMTKDM1A
SCHEMBL6651818 0.74 CYP2A6 (0.48) DRD2DRD3CYP2A6PNMTCYP11B1
SCHEMBL8222195 0.74 PNMT (0.60) DRD2DRD3PNMTCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC 2023-06-08 US disclosed
US-11479557-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2022-10-25 US disclosed
EP-3805215-A1 INHIBITORS OF THE MENIN-MLL INTERACTION Vitae Pharmaceuticals, LLC (US) 2021-04-14 EP disclosed
US-20210053974-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC (US) 2021-02-25 US disclosed
EP-3468966-B1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2020-08-05 EP disclosed
US-10683302-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2020-06-16 US disclosed
US-20190144459-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC 2019-05-16 US disclosed
EP-2956142-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2017-09-20 EP disclosed
EP-2956142-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2017-09-20 EP disclosed
US-9604998-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-03-28 US disclosed
US-20070155754-A1 Histamine h3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY 2007-07-05 US disclosed
US-20070155754-A1 Histamine h3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY 2007-07-05 US disclosed
EP-1720861-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
US-20060111360-A1 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders PHARMACOPEIA DRUG DISCOVERY, INC. 2006-05-25 US disclosed
WO-2006044293-A2 BICYCLIC COMPOUNDS AS SELECTIVE MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OBESITY AND RELATED DISORDERS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-04-27 WO disclosed
WO-2005082893-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
EP-0431943-B1 Spiro(pyran)piperidine derivatives MERCK & CO INC (US) 1998-07-15 EP disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 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 (7 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-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 DRD2 4732/4885DRD3 4556/4885CYP2A6 4370/4885
US-20070155754-A1 Histamine h3 receptor antagonists, preparation and therapeutic uses HRH3, HRH4, HRH2 DRD2 913/4885DRD3 920/4885CYP2A6 1567/4885
US-20190144459-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 DRD2 4732/4885DRD3 4556/4885CYP2A6 4370/4885
US-20060111360-A1 Bicyclic compounds as selective melanin concentrating hormone receptor antagonists for the treatment of obesity and related disorders MCHR1, MCHR2, MC4R DRD2 53/4885DRD3 59/4885CYP2A6 1733/4885
US-11479557-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 DRD2 4732/4885DRD3 4556/4885CYP2A6 4370/4885
US-10683302-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 DRD2 4732/4885DRD3 4556/4885CYP2A6 4370/4885
US-20210053974-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 DRD2 4732/4885DRD3 4556/4885CYP2A6 4370/4885

“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.