SCHEMBL27032765

SCHEMBL27032765

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRNP P04156 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ IMPDH2 P12268 1/20 0.43
▸ NCEH1 Q6PIU2 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ECE1 P42892 1/20 0.39
▸ RXFP1 Q9HBX9 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CTSL P07711 1/20 0.38
▸ TRPV1 Q8NER1 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL27129786 1.00 PRNP (0.46) PRNPNPC1KCNH2POLBIMPDH2
SCHEMBL29828762 0.88 CYP3A4 (0.48) PRNPNPC1KCNH2POLBCYP3A4
SCHEMBL29097261 0.88 CYP3A4 (0.48) PRNPNPC1KCNH2POLBCYP3A4
SCHEMBL30639635 0.88 CYP3A4 (0.48) PRNPNPC1KCNH2POLBCYP3A4
SCHEMBL27133393 0.84 MAPK1 (0.39) PRNPNPC1KCNH2POLBNCEH1
SCHEMBL27032865 0.84 MAPK1 (0.39) PRNPNPC1KCNH2POLBNCEH1
SCHEMBL29096811 0.80 MAPT (0.42) PRNPNPC1KCNH2POLBIMPDH2
SCHEMBL29096809 0.80 MAPT (0.42) PRNPNPC1KCNH2POLBIMPDH2
SCHEMBL29097260 0.78 SCN9A (0.42) PRNPNPC1KCNH2POLBIMPDH2
SCHEMBL27129004 0.76 CYP3A4 (0.48) CTSLCYP3A4

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-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

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 PRNP 4581/4885NPC1 239/4885KCNH2 170/4885

“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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