SCHEMBL21245020

SCHEMBL21245020

O=C1C(CCC2C3(CC3)C23CC3)CCN1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL27380229 0.81 KCNH2 (0.45) DDB1CRBNHDAC1HDAC8HDAC6
SCHEMBL28613401 0.81 HSD11B1 (0.44) MEN1KMT2ADDB1CRBNHDAC1
SCHEMBL6733710 0.78 HSD11B1 (0.57) MEN1KMT2ADDB1CRBNHDAC1
SCHEMBL7278801 0.77 HDAC1 (0.48) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL9461582 0.77 HDAC1 (0.45) MEN1KMT2ADDB1CRBNHDAC1
SCHEMBL28088744 0.77 HDAC1 (0.45) MEN1KMT2ADDB1CRBNHDAC1
SCHEMBL23364678 0.77 ALDH1A1 (0.43) DDB1CRBNHDAC1HDAC8HDAC6
SCHEMBL8965454 0.77 SLC6A2 (0.45) HDAC1HDAC8HDAC6ALDH1A1SIGMAR1
SCHEMBL837205 0.77 HDAC1 (0.44) DDB1CRBNHDAC1HDAC8HDAC6
SCHEMBL27889640 0.77 LTA4H (0.43) HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368189-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMA (US) 2024-11-07 US disclosed
US-11866450-B2 Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-09 US disclosed
EP-4198037-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2023-06-21 EP disclosed
EP-4198037-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS Vertex Pharmaceuticals Incorporated (US) 2023-06-21 EP disclosed
EP-3752510-B1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMA (US) 2022-12-07 EP disclosed
EP-3752510-B1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMA (US) 2022-12-07 EP disclosed
US-20220106331-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMACEUTICALS INCORPORATED 2022-04-07 US disclosed
US-11066417-B2 Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-20 US disclosed
US-11066417-B2 Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-20 US disclosed
EP-3752510-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM Vertex Pharmaceuticals Incorporated (US) 2020-12-23 EP disclosed
WO-2019161078-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-22 WO disclosed
WO-2019161078-A1 MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-22 WO disclosed
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-15 US disclosed
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-15 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 (5 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-20240368189-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 MEN1 3530/4885KMT2A 4515/4885DDB1 3357/4885
US-20220106331-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 MEN1 3530/4885KMT2A 4515/4885DDB1 3357/4885
US-11066417-B2 Modulators of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators CFTR, SLC26A4, ABCB11 MEN1 3530/4885KMT2A 4515/4885DDB1 3357/4885
US-11866450-B2 Modulators of Cystic Fibrosis Transmembrane Conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulators CFTR, SLC26A4, ABCB11 MEN1 3530/4885KMT2A 4515/4885DDB1 3357/4885
US-20190248809-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators CFTR, SLC26A4, ABCB11 MEN1 3530/4885KMT2A 4515/4885DDB1 3357/4885

“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.