SCHEMBL24324626

SCHEMBL24324626

CC1(C)CC(C(C#N)NCc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CTSS P25774 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
APEX1 P27695 1/20 0.35
ALDH1A1 P00352 2/20 0.33
EPHX2 P34913 2/20 0.33
ALOX12 P18054 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FUCA1 P04066 1/20 0.33

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
SCHEMBL15392243 0.77 CTSS (0.36) SIGMAR1KDM4ECYP3A4MAPTCTSS
SCHEMBL24324182 0.75 SIGMAR1 (0.40) SIGMAR1SMN1; SMN2POLBKMT2AMEN1
SCHEMBL24324633 0.73 HPGD (0.41) SIGMAR1KDM4EMAPTSMN1; SMN2POLB
SCHEMBL24323636 0.69 SIGMAR1 (0.40) SIGMAR1KDM4ECYP3A4MAPTCTSS
SCHEMBL3338932 0.69 SIGMAR1 (0.55) SIGMAR1KDM4ECYP3A4MAPTSMN1; SMN2
SCHEMBL19185547 0.68 SIGMAR1 (0.48) SIGMAR1KDM4ECYP3A4MAPTSMN1; SMN2
SCHEMBL15898079 0.68 HPGD (0.45) KDM4ECTSSSMN1; SMN2KMT2AMEN1
SCHEMBL8297976 0.68 EPHX2 (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1EPHX2
SCHEMBL23836183 0.66 SIGMAR1 (0.52) SIGMAR1KDM4ECYP3A4MAPTSMN1; SMN2
SCHEMBL24019759 0.66 SIGMAR1 (0.47) SIGMAR1KDM4ECYP3A4MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-11-06 US disclosed
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 EP disclosed
US-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2024-05-09 US disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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 (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-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B SIGMAR1 2729/4885KDM4E 4306/4885CYP3A4 4125/4885
US-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B SIGMAR1 1744/4885KDM4E 4172/4885CYP3A4 3987/4885

“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.