SCHEMBL24959978

SCHEMBL24959978

CNc1cccc(C(C)CCC(CCC(C)c2ccccn2)c2cccnc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 4/20 0.38
▸ KCNE1 P15382 1/20 0.36
▸ KCNQ1 P51787 1/20 0.36
▸ KCND3 Q9UK17 1/20 0.36
▸ APP P05067 4/20 0.36
▸ GRK6 P43250 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TBXAS1 P24557 4/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ ITGB6 P18564 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SCN1A P35498 1/20 0.34
▸ SCN2A Q99250 1/20 0.34

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
SCHEMBL22645178 1.00 KCNA5 (0.38) KCNA5KCNE1KCNQ1KCND3APP
SCHEMBL18659830 0.81 KCNA5 (0.40) KCNA5KDM4EKCNH2CHRM2SLC6A2
SCHEMBL20694212 0.81 KCNA5 (0.40) KCNA5KDM4EKCNH2CHRM2SLC6A2
SCHEMBL20465414 0.79 KCNA5 (0.45) KCNA5KDM4ETBXAS1CHRM2SLC6A2
SCHEMBL18400269 0.79 KCNA5 (0.45) KCNA5KDM4ETBXAS1CHRM2SLC6A2
SCHEMBL12533650 0.74 KCNA5 (0.38) KCNA5KDM4EKCNH2CHRM2SLC6A2
SCHEMBL26023770 0.72 KCNA5 (0.40) KCNA5KDM4EKCNH2CHRM2SLC6A2
SCHEMBL20821027 0.70 KCNA5 (0.39) KCNA5CHRM2SLC6A2SLC6A4SCN1A
SCHEMBL24762166 0.69 TSHR (0.42) KCNA5KCNE1KCNH2CHRM2SLC6A2
SCHEMBL13428369 0.69 SLC6A2 (0.55) KDM4EKCNH2CHRM2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 — — US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 — — US disclosed
US-11560376-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-01-24 — — US disclosed
US-11419869-B2 Dosage forms and regimens for amino acid compounds PLIANT THERAPEUTICS, INC. (US) 2022-08-23 — — US disclosed
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS PLIANT THERAPEUTICS, INC. 2020-11-12 — — 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 (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-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 KCNA5 1439/4885KCNE1 1951/4885KCNQ1 2984/4885
US-11419869-B2 Dosage forms and regimens for amino acid compounds ITGB6, ITGA6, ITGAV KCNA5 1269/4885KCNE1 1764/4885KCNQ1 2435/4885
US-20200352942-A1 DOSAGE FORMS AND REGIMENS FOR AMINO ACID COMPOUNDS ITGB6, ITGA6, ITGAV KCNA5 1269/4885KCNE1 1764/4885KCNQ1 2435/4885
US-11560376-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 KCNA5 1439/4885KCNE1 1951/4885KCNQ1 2984/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 KCNA5 1049/4885KCNE1 1596/4885KCNQ1 1139/4885

“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.

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