SCHEMBL29828762

SCHEMBL29828762

CC(C)(C)OC(=O)N[C@@H](COc1ccc2cnccc2c1Br)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 11/20 0.48
▸ ATM Q13315 1/20 0.48
▸ AAK1 Q2M2I8 4/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ PRNP P04156 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ APP P05067 1/20 0.41

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
SCHEMBL30639635 1.00 CYP3A4 (0.48) CYP3A4ATMAAK1HDAC3HDAC4
SCHEMBL29097261 1.00 CYP3A4 (0.48) CYP3A4ATMAAK1HDAC3HDAC4
SCHEMBL27032731 0.89 CYP3A4 (0.48) CYP3A4ATMHDAC3HDAC4HDAC1
SCHEMBL27129004 0.89 CYP3A4 (0.48) CYP3A4ATMHDAC3HDAC4HDAC1
SCHEMBL27129786 0.88 PRNP (0.46) CYP3A4PRNPNPC1KCNH2POLB
SCHEMBL27032765 0.88 PRNP (0.46) CYP3A4PRNPNPC1KCNH2POLB
SCHEMBL29828650 0.88 CYP3A4 (0.47) CYP3A4ATMHDAC3HDAC4HDAC1
SCHEMBL29096836 0.88 CYP3A4 (0.47) CYP3A4ATMHDAC3HDAC4HDAC1
SCHEMBL30639506 0.88 CYP3A4 (0.47) CYP3A4ATMHDAC3HDAC4HDAC1
SCHEMBL29828809 0.86 ATM (0.47) CYP3A4ATMAAK1HDAC3HDAC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 — — US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 — — EP disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 — — WO 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-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 CYP3A4 1162/4885ATM 1037/4885AAK1 2340/4885

“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