SCHEMBL22975191

SCHEMBL22975191

CC1(C)C[C@@H](CCCN)CN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 10/20 0.36
ARG2 P78540 4/20 0.34
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CPB2 Q96IY4 4/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL21245244 1.00 ARG1 (0.36) ARG1ARG2CHRM2CHRM1CHRM3
SCHEMBL21244536 1.00 ARG1 (0.36) ARG1ARG2CHRM2CHRM1CHRM3
SCHEMBL21244721 0.95 SIGMAR1 (0.37) ARG1ARG2CHRM2CHRM1CHRM3
SCHEMBL21275070 0.95 SIGMAR1 (0.37) ARG1ARG2CHRM2CHRM1CHRM3
SCHEMBL21244521 0.94 SIGMAR1 (0.40) ARG1ARG2CHRM2CHRM1CHRM3
SCHEMBL21244755 0.89 CHRM2 (0.36) ARG1ARG2CHRM2CHRM1CHRM3
SCHEMBL21245007 0.85
SCHEMBL21244660 0.85
SCHEMBL21274890 0.83 PLG (0.38)
SCHEMBL21244964 0.83 PLG (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013741-B1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMA (US) 2024-04-17 EP disclosed
US-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-12-14 US disclosed
US-11584761-B2 Process of making CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-21 US disclosed
EP-4013741-A1 PROCESS OF MAKING CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP disclosed
WO-2021030554-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
US-20210047345-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2021-02-18 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 (3 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-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 ARG1 4749/4885ARG2 4611/4885CHRM2 1365/4885
US-11584761-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 ARG1 4749/4885ARG2 4611/4885CHRM2 1365/4885
US-20210047345-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 ARG1 4749/4885ARG2 4611/4885CHRM2 1365/4885

“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.