SCHEMBL18554154

SCHEMBL18554154

CC(C)NC(=O)[C@@H](N)Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CTSH P09668 1/20 0.47
CYP2D6 P10635 1/20 0.47
CTSK P43235 1/20 0.47
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
MRE11 P49959 1/20 0.43
OPRD1 P41143 5/20 0.42
OPRM1 P35372 4/20 0.42
OPRK1 P41145 1/20 0.42
MME P08473 1/20 0.41
PRCP P42785 1/20 0.41
CYP19A1 P11511 1/20 0.41
GRM5 P41594 1/20 0.40
LTA4H P09960 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL20474596 1.00 CTSC (0.48) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL20474574 0.82 CTSC (0.45) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL18554073 0.82 CTSC (0.45) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL20474581 0.81 ROCK2 (0.52) ITGB1ITGA4OPRK1
SCHEMBL18554064 0.81 ROCK2 (0.52) ITGB1ITGA4OPRK1
SCHEMBL20474555 0.80 MMP2 (0.46) OPRD1OPRM1OPRK1MMEPRCP
SCHEMBL18554058 0.80 MMP2 (0.46) OPRD1OPRM1OPRK1MMEPRCP
SCHEMBL12377253 0.79 CTSC (0.59) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL18554025 0.79 CTSC (0.59) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL3178122 0.77 CYP19A1 (0.51) CYP1A2CTSKMMECYP19A1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240415830-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO LLC (US) 2024-12-19 US claimed
US-11944619-B2 Phenylalanine small organic compounds to directly modulate PCSK9 protein activity SRX CARDIO, LLC (US) 2024-04-02 US claimed
EP-3337497-B1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO LLC (US) 2023-07-12 EP claimed
US-20210236481-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO, LLC 2021-08-05 US claimed
US-10821106-B2 Composition and methods of use of novel phenylalanine small organic compounds to directly modulate PCSK9 protein activity SRX CARDIO, LLC 2020-11-03 US claimed
US-20240415830-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO LLC (US) 2024-12-19 US disclosed
US-11944619-B2 Phenylalanine small organic compounds to directly modulate PCSK9 protein activity SRX CARDIO, LLC (US) 2024-04-02 US disclosed
EP-3337497-B1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO LLC (US) 2023-07-12 EP disclosed
US-20210236481-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO, LLC 2021-08-05 US disclosed
US-10821106-B2 Composition and methods of use of novel phenylalanine small organic compounds to directly modulate PCSK9 protein activity SRX CARDIO, LLC 2020-11-03 US disclosed
US-20180237381-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO, LLC 2018-08-23 US disclosed
EP-3337497-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY Portola Pharmaceuticals, Inc. (US) 2018-06-27 EP disclosed
WO-2017034994-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY PORTOLA PHARMACEUTICALS, INC. (US) 2017-03-02 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 (5 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-11944619-B2 Phenylalanine small organic compounds to directly modulate PCSK9 protein activity PCSK9, LDLR, APOL1 CTSC 172/4885CYP1A2 921/4885CYP3A4 487/4885
US-10821106-B2 Composition and methods of use of novel phenylalanine small organic compounds to directly modulate PCSK9 protein activity PCSK9, LDLR, APOB CTSC 143/4885CYP1A2 1280/4885CYP3A4 916/4885
US-20210236481-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY PCSK9, LDLR, APOB CTSC 143/4885CYP1A2 1280/4885CYP3A4 916/4885
US-20180237381-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY PCSK9, LDLR, APOB CTSC 143/4885CYP1A2 1280/4885CYP3A4 916/4885
US-20240415830-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY PCSK9, LDLR, APOB CTSC 143/4885CYP1A2 1280/4885CYP3A4 916/4885

“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.