SCHEMBL20899520

SCHEMBL20899520

CC(C)CC(=O)Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.60
CYP2C9 P11712 1/20 0.49
HDAC1 Q13547 1/20 0.49
PTPN1 P18031 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR2 O15552 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
SCHEMBL20898967 0.84 IDO1 (0.66) IDO1CYP2C9HDAC1SMN1; SMN2RAB9A
SCHEMBL20907398 0.84 IDO1 (0.59) IDO1CYP2C9HDAC1SMN1; SMN2MAPT
SCHEMBL30518115 0.84 IDO1 (0.59) IDO1CYP2C9HDAC1SMN1; SMN2MAPT
SCHEMBL20899530 0.83 IDO1 (0.60) IDO1CYP2C9HDAC1SMN1; SMN2RAB9A
SCHEMBL22407275 0.83 IDO1 (0.60) IDO1CYP2C9HDAC1SMN1; SMN2RAB9A
SCHEMBL20898668 0.81 IDO1 (0.58) IDO1CYP2C9HDAC1SMN1; SMN2MAPT
SCHEMBL25916023 0.80 IDO1 (0.61) IDO1CYP2C9HDAC1SMN1; SMN2RAB9A
SCHEMBL20907964 0.80 IDO1 (0.59) IDO1CYP2C9HDAC1SMN1; SMN2MAPT
SCHEMBL20907396 0.80 IDO1 (0.59) IDO1CYP2C9HDAC1MAPTRAB9A
SCHEMBL30518122 0.80 IDO1 (0.59) IDO1CYP2C9HDAC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694503-B1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP claimed
US-20200290996-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-09-17 US claimed
EP-3694503-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-08-19 EP claimed
WO-2019074749-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO claimed
EP-3694503-B1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
EP-3694503-B1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
US-11111232-B2 Substituted cyclobutylpyridine and cyclobutylpyrimidine compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-09-07 US disclosed
US-11111232-B2 Substituted cyclobutylpyridine and cyclobutylpyrimidine compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-09-07 US disclosed
US-20200290996-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-09-17 US disclosed
US-20200290996-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-09-17 US disclosed
WO-2019074749-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-04-18 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-11111232-B2 Substituted cyclobutylpyridine and cyclobutylpyrimidine compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU IDO1 1/4885CYP2C9 1692/4885HDAC1 227/4885
US-20200290996-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885CYP2C9 2531/4885HDAC1 180/4885

“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.