SCHEMBL6524090

SCHEMBL6524090

CN(CCCBr)C(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.42
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37

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
SCHEMBL12393190 0.87 CTSK (0.46) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL12393191 0.82 CTSK (0.44) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL16508865 0.81 FAAH (0.43) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL14464620 0.79 CTSK (0.42) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL12228047 0.79 CTSK (0.42) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL2579949 0.79 CTSK (0.44) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL15216070 0.79 FAAH (0.47) CTSK
SCHEMBL1774458 0.79 CTSK (0.42) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL24442329 0.76 CTSK (0.46) CTSKCHRM2CHRM4CHRM5CHRM1
SCHEMBL11924539 0.76 CTSK (0.50) CTSKCHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed
US-8609644-B2 Amino derivatives of androstanes and androstenes as medicaments for cardiovascular disorders SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2013-12-17 US disclosed
EP-2004668-B1 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA TAU IND FARMACEUTI (IT) 2013-03-13 EP disclosed
US-20110053902-A1 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2011-03-03 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 (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-20110053902-A1 AMINO DERIVATIVES OF ANDROSTANES AND ANDROSTENES AS MEDICAMENTS FOR CARDIOVASCULAR DISORDERS PKD1, ATP1A2, ATP1A1 CTSK 1560/4885CHRM2 4202/4885CHRM4 4425/4885

“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.