SCHEMBL24118233

SCHEMBL24118233

C=C(CCNC(=O)c1cccc(Cl)n1)[C@H](C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.56
▸ MAPT P10636 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAP4K4 O95819 2/20 0.40
▸ TNIK Q9UKE5 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GCGR P47871 3/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MET P08581 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KLK7 P49862 1/20 0.37
▸ SCN9A Q15858 1/20 0.37

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
SCHEMBL24118187 1.00 IDO1 (0.56) IDO1MAPTLMNAALDH1A1GAA
SCHEMBL24118337 0.86 SMN1; SMN2 (0.41) IDO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL24118074 0.85 SMN1; SMN2 (0.41) IDO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL24118252 0.82 GCGR (0.38) IDO1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL24117957 0.81 GCGR (0.46) SMN1; SMN2GCGRMEN1KMT2A
SCHEMBL24118068 0.80 IDO1 (0.55) IDO1MAPTLMNAALDH1A1GAA
SCHEMBL24117960 0.80 HIF1A (0.47) MAPTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL24118254 0.78 FPR2 (0.48) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL24118272 0.77 MEN1 (0.44) IDO1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL24118338 0.77 GCGR (0.46) IDO1ALDH1A1GCGRCNR1POLB

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 1/4885MAPT 1865/4885LMNA 4578/4885

“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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