SCHEMBL17646502

SCHEMBL17646502

Cc1cc(OCC(C)C)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.40
TSHR P16473 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
GAA P10253 2/20 0.35
NPC1 O15118 2/20 0.35

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
SCHEMBL22799791 0.79 BTK (0.39) BTKTSHRGABRPGABRDGABRA1
SCHEMBL2725056 0.78
SCHEMBL3261563 0.74 BTK (0.41) BTKGABRPGABRDGABRA1GABRB1
SCHEMBL3261615 0.73 CYP2C9 (0.38) TSHRMAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL3261931 0.72 ALDH1A1 (0.40) GAAMAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL3264081 0.72 CYP2C9 (0.37) NPC1RAB9ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL27436012 0.70 BTK (0.48) BTKTSHRGABRPGABRDGABRA1
SCHEMBL3261591 0.70
SCHEMBL17649458 0.69 GAA (0.35) BTKTSHRGABRPGABRDGABRA1
SCHEMBL3259500 0.69 IKBKE (0.47) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 US disclosed
CN-112279808-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-03-08 CN disclosed
CN-112250627-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-02-02 CN disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-08-30 US disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
CN-112279808-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2021-01-29 CN disclosed
CN-112250627-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2021-01-22 CN disclosed
CN-107690281-B Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2020-11-17 CN disclosed
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
EP-3203840-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2020-08-05 EP disclosed
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-05 US disclosed
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-16 US disclosed
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-05 US disclosed
US-9782408-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-07 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 (11 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-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 BTK 782/4885TSHR 1187/4885GABRP 739/4885
US-20180185364-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 BTK 782/4885TSHR 1187/4885GABRP 739/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 BTK 782/4885TSHR 1187/4885GABRP 739/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 BTK 782/4885TSHR 1187/4885GABRP 739/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 BTK 782/4885TSHR 1187/4885GABRP 739/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 BTK 782/4885TSHR 1187/4885GABRP 739/4885
US-10258624-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 BTK 782/4885TSHR 1187/4885GABRP 739/4885
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, SLC26A4 BTK 782/4885TSHR 1187/4885GABRP 739/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 BTK 782/4885TSHR 1187/4885GABRP 739/4885
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 BTK 782/4885TSHR 1187/4885GABRP 739/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 BTK 782/4885TSHR 1187/4885GABRP 739/4885

“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.