SCHEMBL29639850

SCHEMBL29639850

CC(C(=O)Nc1ccc(F)cc1)C12CC(Nc3ncnc4ccccc34)(C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 14/20 1.00
▸ ADORA3 P0DMS8 1/20 0.44
▸ LMNA P02545 2/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL23572591 1.00 IDO1 (1.00) IDO1ADORA3LMNAABCG2AURKA
SCHEMBL23572605 0.90 IDO1 (1.00) IDO1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL29639831 0.90 IDO1 (1.00) IDO1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL29639842 0.79 IDO1 (0.66) IDO1LMNAMAPTSMN1; SMN2
SCHEMBL23572606 0.79 IDO1 (0.66) IDO1LMNAMAPTSMN1; SMN2
SCHEMBL23572589 0.76 IDO1 (0.61) IDO1
SCHEMBL29639837 0.76 IDO1 (0.61) IDO1
SCHEMBL23271183 0.76 IDO1 (0.61) IDO1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL23572579 0.75 IDO1 (0.60) IDO1LMNAMAPTSMN1; SMN2
SCHEMBL23572601 0.75 IDO1 (0.74) IDO1

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 1/4885ADORA3 720/4885LMNA 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.

Send feedback