SCHEMBL29639861

SCHEMBL29639861

CC(C(=O)Nc1ccc(F)cc1)C12CC(Nc3ncc(C(F)(F)F)cc3F)(C1)C2

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 15/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ TDO2 P48775 1/20 0.39
▸ HCRTR1 O43613 1/20 0.38

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
SCHEMBL23271191 1.00 IDO1 (0.60) IDO1SMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL29639839 0.85 IDO1 (0.56) IDO1SMN1; SMN2LMNAKDM4E
SCHEMBL23572590 0.85 IDO1 (0.56) IDO1SMN1; SMN2LMNAKDM4E
SCHEMBL26783399 0.82 HCRTR1 (0.44) IDO1SMN1; SMN2LMNAPDPK1TDO2
SCHEMBL29639827 0.81 IDO1 (0.56) IDO1SMN1; SMN2ALDH1A1
SCHEMBL23271127 0.81 IDO1 (0.56) IDO1SMN1; SMN2ALDH1A1
SCHEMBL23271183 0.81 IDO1 (0.61) IDO1SMN1; SMN2
SCHEMBL23572589 0.79 IDO1 (0.61) IDO1
SCHEMBL29639837 0.79 IDO1 (0.61) IDO1
SCHEMBL21496334 0.78 IDO1 (0.64) IDO1SMN1; SMN2ALDH1A1

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-3810116-B1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-15 — — EP disclosed
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors MERCK SHARP & DOHME CORP. (US) 2022-06-07 — — 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-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 IDO1 1/4885SMN1; SMN2 2293/4885LMNA 4368/4885

“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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