SCHEMBL21994440

SCHEMBL21994440

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 4/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SYK P43405 2/20 0.32
KCNH2 Q12809 1/20 0.32
CTSA P10619 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
KMT2A Q03164 3/20 0.31
DPP4 P27487 1/20 0.31
PDE8B O95263 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GLA P06280 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
MAPT P10636 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
SCHEMBL21994437 1.00 FFAR2 (0.34) FFAR2CHRM2CHRM1CHRM3SYK
Trifluoroacetic Acid SCHEMBL21995347 0.94 SMN1; SMN2 (0.33) FFAR2CHRM2CHRM1CHRM3SYK
Trifluoroacetic Acid SCHEMBL21995343 0.94 SMN1; SMN2 (0.33) FFAR2CHRM2CHRM1CHRM3SYK
SCHEMBL30191249 0.89 KMT2A (0.34) CHRM2CHRM1CHRM3SYKKCNH2
SCHEMBL21995345 0.84 SMN1; SMN2 (0.33) SYKKCNH2SMN1; SMN2TSHRKMT2A
SCHEMBL21994414 0.80 HDAC4 (0.34) CHRM2CHRM1CHRM3SYKTSHR
SCHEMBL21994413 0.80 HDAC4 (0.34) CHRM2CHRM1CHRM3SYKTSHR
SCHEMBL21994682 0.75 FFAR2 (0.33) FFAR2KMT2ASIGMAR1
SCHEMBL30191593 0.72 ABCB1 (0.40) SIGMAR1
SCHEMBL30191635 0.68 NPC1 (0.33) KDM4E

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 FFAR2 508/4885CHRM2 444/4885CHRM1 326/4885

“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.