SCHEMBL8792265

SCHEMBL8792265

BrCCC(C1CC1)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.31
AR P10275 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3297381 0.73
SCHEMBL5624040 0.69 EPHX1 (0.43) EPHX1
SCHEMBL8794844 0.69 EPHX1 (0.32) EPHX1
SCHEMBL4655240 0.65 DNM1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL4653022 0.65
SCHEMBL8955204 0.63
SCHEMBL10873598 0.61 EPHX1 (0.36) EPHX1
SCHEMBL4654403 0.60
SCHEMBL6946601 0.60
SCHEMBL550246 0.60

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 12 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
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
EP-0324377-B1 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids DU PONT (US) 1997-04-16 EP disclosed
EP-0541407-B1 Nitrogen containing bicyclic derivatives, method for their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-02-26 EP disclosed
EP-0733366-A2 Pharmaceutical compositions comprising angiotensin II receptor blocking imidazoles and diuretics E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-25 EP disclosed
US-5384322-A Prolylendopeptidase inhibitors; Alzheimer*s disease; antidepressant and anxiolytic agents ADIR ET COMPAGNIE (FR) 1995-01-24 US disclosed
US-5286732-A Prolylendopeptidase-inhibitors; administering for treatment and prevention of memory disorders for aging ADIR ET COMPAGNIE (FR) 1994-02-15 US disclosed
EP-0541407-A1 Nitrogen containing bicyclic derivatives, method for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-05-12 EP 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 EPHX1 2577/4885ALDH1A1 3972/4885AR 4693/4885

“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.