SCHEMBL22975146

SCHEMBL22975146

CC1(C)CC(CCCO)CN1c1nc(Br)ccc1C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.31
PARP1 P09874 1/20 0.31
AKR1C3 P42330 1/20 0.30

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
SCHEMBL31672108 1.00 CFTR (0.31) CFTRPARP1AKR1C3
SCHEMBL22975145 1.00 CFTR (0.31) CFTRPARP1AKR1C3
SCHEMBL22975402 0.94 CFTR (0.31) CFTR
SCHEMBL22975400 0.94 CFTR (0.31) CFTR
SCHEMBL26938947 0.91 PARP1 (0.35) PARP1
SCHEMBL28765337 0.88 GPR119 (0.33) CFTRPARP1
SCHEMBL28765339 0.88 GPR119 (0.33) CFTRPARP1
SCHEMBL22975186 0.87 CFTR (0.31) CFTR
SCHEMBL22975187 0.87 CFTR (0.31) CFTR
SCHEMBL26939051 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4648753-B1 COMPOSITIONS FOR THE TREATMENT OF CFTR-MEDIATED DISEASES VERTEX PHARMA (US) 2026-02-18 EP disclosed
US-20250248981-A1 COMPOSITIONS FOR THE TREATMENT OF CFTR-MEDIATED DISEASES VERTEX PHARMACEUTICALS INCORPORATED 2025-08-07 US disclosed
US-12122788-B2 Process of making CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-10-22 US disclosed
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-11591350-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-28 US disclosed
US-11584761-B2 Process of making CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-21 US disclosed
EP-4013763-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP 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
WO-2021030554-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
WO-2021030555-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
WO-2021030555-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
US-20210047350-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2021-02-18 US 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 (7 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 CFTR 1/4885PARP1 3201/4885AKR1C3 2992/4885
US-20250248981-A1 COMPOSITIONS FOR THE TREATMENT OF CFTR-MEDIATED DISEASES CFTR, TMCO1, ITPR1 CFTR 1/4885PARP1 3431/4885AKR1C3 3870/4885
US-11584761-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 CFTR 1/4885PARP1 3201/4885AKR1C3 2992/4885
US-11591350-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1G, SCNN1B CFTR 1/4885PARP1 4791/4885AKR1C3 3130/4885
US-20210047345-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 CFTR 1/4885PARP1 3201/4885AKR1C3 2992/4885
US-12122788-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 CFTR 1/4885PARP1 3201/4885AKR1C3 2992/4885
US-20210047350-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CFTR 1/4885PARP1 4791/4885AKR1C3 3130/4885

“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.