SCHEMBL5869249

SCHEMBL5869249

CC(C)(C)OC(=O)Nc1ccc(-c2ccccn2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.48
CYP17A1 P05093 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
BRD9 Q9H8M2 1/20 0.43
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC3 O15379 3/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
METAP1 P53582 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAP4K4 O95819 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAPK14 Q16539 1/20 0.40
SMO Q99835 1/20 0.40
USP30 Q70CQ3 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL25214140 0.86 AAK1 (0.51) AAK1CYP17A1BRD9HDAC1METAP1
SCHEMBL3312830 0.85 ABL1 (0.49) CYP17A1TRPV1BRD9IRAK4METAP1
SCHEMBL30118372 0.85 AAK1 (0.48) AAK1CYP17A1HDAC1HDAC2HDAC3
SCHEMBL30474693 0.85 AAK1 (0.46) AAK1CYP17A1BRD9HDAC1HDAC2
SCHEMBL25216637 0.85 AAK1 (0.46) AAK1CYP17A1BRD9HDAC1HDAC2
SCHEMBL1753916 0.82 ABCB1 (0.54) AAK1CYP17A1BRD9HDAC1HDAC2
SCHEMBL5868802 0.82 ABCB1 (0.54) AAK1CYP17A1BRD9HDAC1HDAC2
SCHEMBL5868992 0.82 MAPT (0.46)
SCHEMBL30474806 0.82 MAPT (0.46)
Ammonia Solution, Strong SCHEMBL21835798 0.81 ABCB1 (0.53) AAK1CYP17A1BRD9HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136570-A1 HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2025-05-01 US disclosed
EP-4441033-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-10-09 EP disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
WO-2023102162-A1 TGONOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-06-08 WO disclosed
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. 2023-06-08 US disclosed
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 US disclosed
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 US disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 AAK1 1593/4885CYP17A1 1449/4885TRPV1 613/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 AAK1 2325/4885CYP17A1 1970/4885TRPV1 2644/4885
US-20230174501-A1 NOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 AAK1 2510/4885CYP17A1 1294/4885TRPV1 4771/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 AAK1 2207/4885CYP17A1 1907/4885TRPV1 529/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 AAK1 2207/4885CYP17A1 1907/4885TRPV1 529/4885
US-20250136570-A1 HDAC INHIBITORS AND THERAPEUTIC USE THEREOF HDAC1, HDAC7, HDAC5 AAK1 3018/4885CYP17A1 657/4885TRPV1 4796/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 AAK1 3018/4885CYP17A1 657/4885TRPV1 4796/4885

“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.