SCHEMBL23593322

SCHEMBL23593322

C=C(CCN)[C@H](C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAPT P10636 2/20 0.45
▸ RECQL P46063 1/20 0.45
▸ KLK7 P49862 2/20 0.44
▸ MET P08581 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HDAC3 O15379 4/20 0.43
▸ HDAC1 Q13547 4/20 0.43
▸ HDAC2 Q92769 4/20 0.43
▸ NCOR2 Q9Y618 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL24118051 0.87 MAPT (0.51) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL23593343 0.86 CA12 (0.49) KMT2AMEN1KLK7ALDH1A1NPC1
SCHEMBL24118254 0.83 FPR2 (0.48) POLBKMT2AMEN1CYP1A2CYP2C9
SCHEMBL24118081 0.79 MAPT (0.51) POLBKMT2AMEN1CYP1A2CYP2C9
SCHEMBL24118405 0.79 KMT2A (0.44) POLBKMT2AMEN1RECQLALDH1A1
SCHEMBL24118386 0.79 MEN1 (0.42) POLBKMT2AMEN1CYP1A2CYP2C9
SCHEMBL23592422 0.79 KMT2A (0.47) POLBKMT2AMEN1CYP1A2CYP2C9
SCHEMBL24118272 0.78 MEN1 (0.44) POLBKMT2AMEN1CYP1A2CYP2C9
SCHEMBL23593404 0.77 CA1 (0.44) POLBKMT2AMEN1CYP1A2CYP2C9
SCHEMBL26783549 0.75 GRM5 (0.42) POLBKMT2AMEN1CYP1A2CYP2C9

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 POLB 1811/4885KMT2A 1424/4885MEN1 1464/4885
US-11352320-B2 Substituted [1.1.1] bicyclo compounds as indoleamine 2,3-dioxygenase inhibitors IDO1, IDO2, TPH1 POLB 1605/4885KMT2A 1295/4885MEN1 1529/4885

“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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