SCHEMBL22397691

SCHEMBL22397691

CC(C)CC(=O)N1CCCc2cc(CNC(=O)c3cccc(Cl)c3)ccc21

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.81
KCNH2 Q12809 5/20 0.81
TP53 P04637 5/20 0.54
LMNA P02545 2/20 0.52
THRB P10828 3/20 0.48
PTPN11 Q06124 1/20 0.48
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 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
SCHEMBL31492865 1.00 IDO1 (0.81) IDO1KCNH2TP53LMNATHRB
SCHEMBL22397728 0.90 IDO1 (1.00) IDO1KCNH2TP53LMNATHRB
SCHEMBL22397423 0.88 IDO1 (0.82) IDO1KCNH2TP53LMNATHRB
SCHEMBL31492832 0.88 IDO1 (0.82) IDO1KCNH2TP53LMNATHRB
SCHEMBL31492881 0.86 IDO1 (0.90) IDO1KCNH2TP53LMNATHRB
SCHEMBL22397378 0.86 IDO1 (0.90) IDO1KCNH2TP53LMNATHRB
SCHEMBL22397395 0.86 IDO1 (0.80) IDO1KCNH2TP53LMNATHRB
SCHEMBL31492906 0.86 IDO1 (0.79) IDO1KCNH2TP53LMNATHRB
SCHEMBL22397590 0.86 IDO1 (0.79) IDO1KCNH2TP53LMNATHRB
SCHEMBL22397475 0.86 IDO1 (0.85) IDO1KCNH2TP53LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3703692-B1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-23 EP claimed
US-20210179607-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-17 US claimed
EP-3703692-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-09 EP claimed
US-20210179607-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-17 US disclosed
US-20210179607-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-17 US 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 (1 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-20210179607-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885KCNH2 3836/4885TP53 1483/4885

“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.