SCHEMBL23593349

SCHEMBL23593349

C=C(CCNc1ccnc(C)n1)[C@@H](C)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ IDO1 P14902 2/20 0.41
▸ SORT1 Q99523 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.38
▸ FFAR2 O15552 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CNR1 P21554 2/20 0.37
▸ FPR2 P25090 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ BRAF P15056 1/20 0.35
▸ KDR P35968 1/20 0.35

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
SCHEMBL26782964 1.00 MAPT (0.41) MAPTIDO1SORT1STK17AFFAR2
SCHEMBL23593353 0.79 IDO1 (0.44) MAPTIDO1SORT1FFAR2LMNA
SCHEMBL26783170 0.77 SORT1 (0.42) MAPTIDO1SORT1FFAR2LMNA
SCHEMBL23593343 0.74 CA12 (0.49) FFAR2CA12CA1CA2CA9
SCHEMBL26783064 0.72 MEN1 (0.54) FFAR2CA12CA1CA2CA9
SCHEMBL26783043 0.71 CA1 (0.44) MAPTIDO1CA12CA1CA2
SCHEMBL23572602 0.70 IDO1 (0.51) MAPTIDO1SORT1
SCHEMBL23593350 0.70 IDO1 (0.51) MAPTIDO1SORT1
SCHEMBL23593347 0.70 IDO1 (0.51) MAPTIDO1SORT1
SCHEMBL26783470 0.70 AR (0.47) STK17ALMNASMN1; SMN2FPR2RAB9A

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
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
US-20210198190-A1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-07-01 — — 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 (2 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-20210198190-A1 NOVEL SUBSTITUTED [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, TPH1 MAPT 1889/4885IDO1 1/4885SORT1 4649/4885
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 MAPT 1778/4885IDO1 1/4885SORT1 4736/4885

“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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