SCHEMBL31492906

SCHEMBL31492906

CC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccc(F)c(F)c3)ccc21

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.79
KCNH2 Q12809 3/20 0.79
TP53 P04637 6/20 0.52
THRB P10828 3/20 0.51
LMNA P02545 7/20 0.50

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
SCHEMBL22397590 1.00 IDO1 (0.79) IDO1KCNH2TP53THRBLMNA
SCHEMBL23494480 0.92 IDO1 (0.78) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397413 0.90 IDO1 (0.82) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397728 0.89 IDO1 (1.00) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397390 0.87 IDO1 (0.84) IDO1KCNH2TP53THRBLMNA
SCHEMBL31492765 0.87 IDO1 (0.79) IDO1KCNH2TP53THRBLMNA
SCHEMBL31492832 0.87 IDO1 (0.82) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397315 0.87 IDO1 (0.79) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397423 0.87 IDO1 (0.82) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397356 0.87 IDO1 (0.82) IDO1KCNH2TP53THRBLMNA

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 2 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-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-15 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-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT IDO1 1/4885KCNH2 3707/4885TP53 1456/4885

“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.