SCHEMBL24118064

SCHEMBL24118064

C=C(CCNC(=O)c1ccc(Cl)c(F)c1)[C@H](C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.46
▸ KCNQ3 O43525 3/20 0.45
▸ KCNQ2 O43526 3/20 0.45
▸ KCNE1 P15382 2/20 0.45
▸ KCNQ1 P51787 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KCNQ5 Q9NR82 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GCG P01275 1/20 0.43
▸ PPARG P37231 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL24118259 0.91 POLB (0.44) IDO1MEN1KMT2APOLBALDH1A1
SCHEMBL24117949 0.90 IDO1 (0.53) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL24117930 0.89 CYP1A2 (0.49) IDO1MEN1KMT2APOLBALDH1A1
SCHEMBL24118244 0.88 ALDH1A1 (0.51) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL24118386 0.87 MEN1 (0.42) IDO1MEN1KMT2APOLBALDH1A1
SCHEMBL24118073 0.86 ALDH1A1 (0.46) IDO1MEN1KMT2APOLBALDH1A1
SCHEMBL24118311 0.86 ALDH1A1 (0.46) IDO1MEN1KMT2APOLBALDH1A1
SCHEMBL24118086 0.85 IDO1 (0.42) IDO1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL24118141 0.85 MEN1 (0.49) IDO1MEN1KMT2APOLBALDH1A1
SCHEMBL24118272 0.85 MEN1 (0.44) IDO1MEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors MERCK SHARP & DOHME CORP. (US) 2021-12-23 — — 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-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors IDO1, IDO2, TPH1 IDO1 1/4885KCNQ3 4341/4885KCNQ2 4068/4885

“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.

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