Sugi Predict

Sugi Predict / Compounds / SCHEMBL5868895

SCHEMBL5868895

SCHEMBL5868895

CC(C)(C)OC(=O)Nc1ccc(-c2cccc(F)c2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 5/20 0.48
▸ CYP17A1 P05093 2/20 0.48
▸ ABCB1 P08183 2/20 0.46
▸ ABCC1 P33527 2/20 0.46
▸ HDAC1 Q13547 3/20 0.42
▸ KCNQ4 P56696 1/20 0.42
▸ KCNQ5 Q9NR82 1/20 0.42
▸ HDAC2 Q92769 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ F2R P25116 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
SCHEMBL30118376 1.00 AAK1 (0.48) AAK1CYP17A1ABCB1ABCC1HDAC1
SCHEMBL20163070 0.90 ABCB1 (0.56) AAK1CYP17A1ABCB1ABCC1HDAC1
SCHEMBL30059279 0.88 CYP17A1 (0.54) AAK1CYP17A1ABCB1ABCC1HDAC1
SCHEMBL197036 0.88 CYP17A1 (0.54) AAK1CYP17A1ABCB1ABCC1HDAC1
SCHEMBL3790831 0.87 AAK1 (0.47) AAK1CYP17A1ABCB1ABCC1HDAC1
SCHEMBL5868898 0.87 HDAC2 (0.50) AAK1CYP17A1ABCB1ABCC1HDAC1
SCHEMBL5868802 0.87 ABCB1 (0.54) AAK1CYP17A1ABCB1ABCC1HDAC1
SCHEMBL1753916 0.87 ABCB1 (0.54) AAK1CYP17A1ABCB1ABCC1HDAC1
SCHEMBL25216132 0.86 CYP17A1 (0.54) AAK1CYP17A1ABCB1ABCC1HDAC1
Ammonia Solution, Strong SCHEMBL21835798 0.86 ABCB1 (0.53) AAK1CYP17A1ABCB1ABCC1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 — — US disclosed
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2020-12-03 — — US disclosed
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2020-09-15 — — US disclosed
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2019-10-31 — — US disclosed
US-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2019-08-20 — — US disclosed
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 — — US disclosed
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 — — 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 (9 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-10385031-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 AAK1 2070/4885CYP17A1 2093/4885ABCB1 1564/4885
US-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 AAK1 1593/4885CYP17A1 1449/4885ABCB1 1092/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 AAK1 2325/4885CYP17A1 1970/4885ABCB1 1376/4885
US-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 AAK1 1162/4885CYP17A1 2523/4885ABCB1 3175/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 AAK1 2207/4885CYP17A1 1907/4885ABCB1 1124/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 AAK1 1412/4885CYP17A1 3342/4885ABCB1 2167/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 AAK1 2207/4885CYP17A1 1907/4885ABCB1 1124/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 AAK1 1492/4885CYP17A1 2915/4885ABCB1 2283/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 AAK1 1162/4885CYP17A1 2523/4885ABCB1 3175/4885

“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.