SCHEMBL23006166

SCHEMBL23006166

CC(C)(C)OC(=O)N1CCC[C@H](CCCOC(=O)c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.51
USP30 Q70CQ3 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
HTR6 P50406 6/20 0.47
BCHE P06276 4/20 0.47
KDM1A O60341 1/20 0.47
BACE1 P56817 2/20 0.46
CTSD P07339 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
HPGDS O60760 1/20 0.45
KAT7 O95251 1/20 0.45

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
SCHEMBL22983598 1.00 ACKR3 (0.51) ACKR3USP30KDM4EPKMSCN1A
SCHEMBL28771668 1.00 ACKR3 (0.51) ACKR3USP30KDM4EPKMSCN1A
SCHEMBL8841108 0.89 KDM4E (0.61) KDM4EPKMSCN1ASCN2ASCN3A
SCHEMBL22982883 0.87 TDP1 (0.50) PKMSCN1ASCN2ASCN3ABCHE
SCHEMBL22982640 0.87 TDP1 (0.50) PKMSCN1ASCN2ASCN3ABCHE
SCHEMBL3356609 0.85 HTR6 (0.51) ACKR3USP30HTR6BCHEKDM1A
SCHEMBL3358109 0.85 HTR6 (0.51) ACKR3USP30HTR6BCHEKDM1A
SCHEMBL3361572 0.85 HTR6 (0.51) ACKR3USP30HTR6BCHEKDM1A
SCHEMBL8427792 0.85 GPR119 (0.60) KDM4EPKMSCN1ASCN2ASCN3A
SCHEMBL13777209 0.84 ACKR3 (0.53) ACKR3USP30KDM4EPKMHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585628-B Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2024-03-26 CN disclosed
US-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-10-06 US disclosed
EP-4013759-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP disclosed
CN-114585628-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2022-06-03 CN disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 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 (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-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ACKR3 1943/4885USP30 2271/4885KDM4E 4100/4885

“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.