SCHEMBL20908017

SCHEMBL20908017

O=C(Nc1ccc(C2(C(=O)Nc3ccc(F)cc3)CCC2)cn1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.61
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC1 Q13547 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CYP2C9 P11712 1/20 0.48
ENPP3 O14638 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
ENPP1 P22413 1/20 0.47
ENPP2 Q13822 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47

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
SCHEMBL30518124 0.92 IDO1 (0.52) IDO1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20898948 0.92 IDO1 (0.52) IDO1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20907396 0.92 IDO1 (0.59) IDO1NPC1RAB9AALDH1A1HDAC1
SCHEMBL20898670 0.91 IDO1 (0.58) IDO1NPC1RAB9AHDAC1CYP2C9
SCHEMBL30518099 0.90 IDO1 (0.55) IDO1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20908019 0.90 IDO1 (0.55) IDO1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20899497 0.89 IDO1 (0.54) IDO1NPC1RAB9AALDH1A1HDAC1
SCHEMBL20908013 0.87 IDO1 (0.52) IDO1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22428668 0.87 IDO1 (0.52) IDO1NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20907397 0.87 IDO1 (0.52) IDO1NPC1RAB9AALDH1A1SMN1; SMN2

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 10 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-11111232-B2 Substituted cyclobutylpyridine and cyclobutylpyrimidine compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-09-07 US 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-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 1/4885NPC1 2330/4885RAB9A 2841/4885
US-20200290996-A1 NOVEL SUBSTITUTED CYCLOBUTYLPYRIDINE AND CYCLOBUTYLPYRIMIDINE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885NPC1 1726/4885RAB9A 2969/4885

“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.