SCHEMBL21995345

SCHEMBL21995345

Cc1cccc(C[C@H](CC(=O)OC(=O)C(F)(F)F)C(=O)N(C)[C@H]2CCCC[C@@H]2N)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
SYK P43405 1/20 0.30
KCNH2 Q12809 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL30191249 0.87 KMT2A (0.34) SMN1; SMN2TSHRKMT2AMEN1OPRM1
Trifluoroacetic Acid SCHEMBL21995343 0.87 SMN1; SMN2 (0.33) SMN1; SMN2TSHRKMT2AMEN1OPRM1
Trifluoroacetic Acid SCHEMBL21995347 0.87 SMN1; SMN2 (0.33) SMN1; SMN2TSHRKMT2AMEN1OPRM1
SCHEMBL21994440 0.84 FFAR2 (0.34) SMN1; SMN2TSHRKMT2AMEN1OPRM1
SCHEMBL21994437 0.84 FFAR2 (0.34) SMN1; SMN2TSHRKMT2AMEN1OPRM1
SCHEMBL21994413 0.70 HDAC4 (0.34) TSHRKMT2AMEN1OPRM1OPRD1
SCHEMBL21994414 0.70 HDAC4 (0.34) TSHRKMT2AMEN1OPRM1OPRD1
SCHEMBL30191593 0.70 ABCB1 (0.40) L3MBTL1
SCHEMBL30191635 0.70 NPC1 (0.33)
SCHEMBL868948 0.68 MEN1 (0.46) SMN1; SMN2KMT2AMEN1OPRM1OPRD1

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
US-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2023-03-23 US disclosed
EP-3887363-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER Novartis AG (CH) 2021-10-06 EP disclosed
CN-113166101-A Cyclic pentameric compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders 诺华股份有限公司 2021-07-23 CN disclosed
WO-2020110008-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2020-06-04 WO 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-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER PCSK9, PCSK7, PCSK6 SMN1; SMN2 2146/4885TSHR 622/4885KMT2A 3622/4885

“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.