SCHEMBL22975200

SCHEMBL22975200

CC(C)(CC(CCCO)C(=O)O)[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 1/20 0.36
MAPK1 P28482 1/20 0.36
CPA1 P15085 2/20 0.36
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC1A2 P43004 3/20 0.32
SLC1A1 P43005 3/20 0.32

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
SCHEMBL22975199 1.00 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29596435 0.88 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL26938920 0.86 KISS1R (0.31)
SCHEMBL26938919 0.86 KISS1R (0.31)
SCHEMBL8848818 0.83 GRIK1 (0.49) CA2MAPK1SLC1A2SLC1A1SLC1A3
SCHEMBL26938912 0.82 KISS1R (0.41) HTR2AHRH1CA2MAPK1CPA1
SCHEMBL26938911 0.82 KISS1R (0.41) HTR2AHRH1CA2MAPK1CPA1
SCHEMBL23009915 0.81 CPB2 (0.38) TDP1CA2MAPK1KMT2ACPB2
SCHEMBL22975155 0.81 CPB2 (0.38) TDP1CA2MAPK1KMT2ACPB2
SCHEMBL8849274 0.79 FOLH1 (0.39) CHRM1ADRA1ATDP1CPA1FOLH1

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 8 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
CN-114555556-B Process for preparing CFTR modulators 弗特克斯药品有限公司 2024-03-29 CN 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
CN-114555556-A Methods of making CFTR modulators 弗特克斯药品有限公司 2022-05-27 CN 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 CHRM1 1107/4885AKR1A1 2695/4885CHRM3 620/4885
US-11584761-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 CHRM1 1107/4885AKR1A1 2695/4885CHRM3 620/4885
US-20210047345-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 CHRM1 1107/4885AKR1A1 2695/4885CHRM3 620/4885

“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.