SCHEMBL18474154

SCHEMBL18474154

Cc1ccc2c(c1)C(C)OC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR2C P28335 4/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTR1A P08908 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
SCHEMBL13616555 0.84 SLC6A2 (0.37) ACHECHRNB2CHRNA4HTR2CSLC6A2
SCHEMBL30743773 0.84 SLC6A2 (0.37) ACHECHRNB2CHRNA4HTR2CSLC6A2
SCHEMBL15896884 0.84 SLC6A2 (0.37) ACHECHRNB2CHRNA4HTR2CSLC6A2
SCHEMBL19827913 0.81 HTR2C (0.37) ACHECHRNB2CHRNA4HTR2CSLC6A2
SCHEMBL19835604 0.81 HTR2C (0.37) ACHECHRNB2CHRNA4HTR2CSLC6A2
SCHEMBL18643709 0.81 HTR2C (0.37) ACHECHRNB2CHRNA4HTR2CSLC6A2
SCHEMBL17193929 0.78 HTR2C (0.45) ACHECHRNB2CHRNA4HTR2CSLC6A2
SCHEMBL18372009 0.78 GAA (0.36) ACHECHRNB2CHRNA4HTR2CSLC6A2
SCHEMBL31394451 0.78 HTR2A (0.45) HTR2CCA1CA2HTR2BHTR2A
SCHEMBL19828061 0.78 ACHE (0.34) ACHECHRNB2CHRNA4HTR2CSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287053-A1 COMPOUND, ENDOTHELIN-A RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION ALCHEMEDICINE, INC. (JP) 2024-08-29 US disclosed
EP-4361146-A1 COMPOUND, ENDOTHELIN-A RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION Alchemedicine, Inc. (JP) 2024-05-01 EP disclosed
CN-117255791-A Compounds, endothelin A receptor antagonists and pharmaceutical compositions 亚克医药株式会社 2023-12-19 CN disclosed
WO-2022270487-A1 COMPOUND, ENDOTHELIN-A RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION 株式会社アークメディスン 2022-12-29 WO disclosed
EP-3133071-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2017-02-22 EP disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 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 (2 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-20240287053-A1 COMPOUND, ENDOTHELIN-A RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION EDNRA, EDNRB, ECE1 ACHE 1551/4885CHRNB2 514/4885CHRNA4 520/4885
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SLC5A2, SLC5A1, MGAT1 ACHE 3471/4885CHRNB2 2471/4885CHRNA4 3508/4885

“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.