SCHEMBL1753916

SCHEMBL1753916

CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1N

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.54
ABCC1 P33527 1/20 0.53
AAK1 Q2M2I8 6/20 0.52
HDAC2 Q92769 5/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC3 O15379 3/20 0.50
CYP17A1 P05093 2/20 0.49
BRD9 Q9H8M2 1/20 0.47
MAP4K4 O95819 1/20 0.46
CNR2 P34972 1/20 0.45

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
SCHEMBL5868802 1.00 ABCB1 (0.54) ABCB1ABCC1AAK1HDAC2HDAC1
Ammonia Solution, Strong SCHEMBL21835798 0.99 ABCB1 (0.53) ABCB1ABCC1AAK1HDAC2HDAC1
SCHEMBL3786645 0.90 AAK1 (0.53) ABCB1ABCC1AAK1HDAC2HDAC1
SCHEMBL3790831 0.89 AAK1 (0.47) ABCB1ABCC1AAK1HDAC2HDAC1
SCHEMBL5868898 0.89 HDAC2 (0.50) ABCB1ABCC1AAK1HDAC2HDAC1
SCHEMBL24233399 0.89 AAK1 (0.52) ABCB1ABCC1AAK1HDAC2HDAC1
SCHEMBL3790650 0.89 HDAC2 (0.65) HDAC2HDAC1HDAC3
SCHEMBL5869075 0.89 AAK1 (0.52) ABCB1ABCC1AAK1CYP17A1MAP4K4
SCHEMBL5868853 0.88 AAK1 (0.51) ABCB1ABCC1AAK1HDAC2HDAC1
SCHEMBL197036 0.88 CYP17A1 (0.54) ABCB1ABCC1AAK1HDAC2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858919-B2 HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-20230390308-A1 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES UNIV DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2023-12-07 US disclosed
US-11833160-B2 Ursodeoxycholic acid derivatives as HDAC inhibitors for the treatment of polycystic diseases UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2023-12-05 US disclosed
US-11833160-B2 Ursodeoxycholic acid derivatives as HDAC inhibitors for the treatment of polycystic diseases UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2023-12-05 US disclosed
US-11833160-B2 Ursodeoxycholic acid derivatives as HDAC inhibitors for the treatment of polycystic diseases UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2023-12-05 US disclosed
EP-3725787-B1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS INC (US) 2023-11-29 EP disclosed
EP-3725787-B1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS INC (US) 2023-11-29 EP disclosed
EP-2970107-B1 PHOTOSWITCHABLE HDAC INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2023-11-15 EP disclosed
US-20230348389-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS LLC (US) 2023-11-02 US disclosed
US-20230348389-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS REGENACY PHARMACEUTICALS LLC (US) 2023-11-02 US disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO 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 ABCB1 1092/4885ABCC1 768/4885AAK1 1593/4885
US-20230390308-A1 URSODEOXYCHOLIC ACID DERIVATIVES FOR THE TREATMENT OF POLYCYSTIC DISEASES PKD1, PKD2, SLC10A1 ABCB1 154/4885ABCC1 391/4885AAK1 1760/4885
US-20230348389-A1 PIPERIDINE DERIVATIVES AS HDAC1/2 INHIBITORS HDAC1, HDAC2, HDAC10 ABCB1 2122/4885ABCC1 2386/4885AAK1 1069/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ABCB1 1124/4885ABCC1 1354/4885AAK1 2207/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ABCB1 1124/4885ABCC1 1354/4885AAK1 2207/4885
US-11833160-B2 Ursodeoxycholic acid derivatives as HDAC inhibitors for the treatment of polycystic diseases HDAC1, HDAC2, HDAC9 ABCB1 742/4885ABCC1 1168/4885AAK1 1904/4885
US-11858919-B2 HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 ABCB1 3111/4885ABCC1 3164/4885AAK1 1543/4885

“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.