SCHEMBL630208

SCHEMBL630208

O=C(O)[C@@H]1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.62
FKBP1A P62942 2/20 0.59
CTRB1 P17538 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
CTSB P07858 1/20 0.57
CTSS P25774 1/20 0.57
CTSK P43235 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 1/20 0.56
KLK7 P49862 1/20 0.56
KLK5 Q9Y337 1/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL630241 1.00 PREP (0.62) PREPFKBP1ACTRB1SMN1; SMN2ALDH1A1
SCHEMBL82714 1.00 PREP (0.62) PREPFKBP1ACTRB1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL29077433 0.99 PREP (0.61) PREPFKBP1ACTRB1SMN1; SMN2ALDH1A1
SCHEMBL7648948 0.99 PREP (0.61) PREPFKBP1ACTRB1SMN1; SMN2ALDH1A1
SCHEMBL7650461 0.99 PREP (0.61) PREPFKBP1ACTRB1SMN1; SMN2ALDH1A1
SCHEMBL7648946 0.99 PREP (0.61) PREPFKBP1ACTRB1SMN1; SMN2ALDH1A1
SCHEMBL29553 0.96 PREP (0.67) PREPCTRB1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL205223 0.96 PREP (0.67) PREPCTRB1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL29658848 0.96 PREP (0.67) PREPCTRB1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL475715 0.96 PREP (0.67) PREPCTRB1SMN1; SMN2ALDH1A1NPSR1

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 156 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118256591-A Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-06-28 CN disclosed
US-11974999-B2 Bruton's tyrosine kinase inhibitors Liao, Xibin (US) 2024-05-07 US disclosed
CN-110869544-B Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-03-08 CN disclosed
US-20230331729-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS MERCK SHARP & DOHME (NL) 2023-10-19 US disclosed
EP-4249076-A2 (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR Merck Sharp & Dohme B.V. (NL) 2023-09-27 EP disclosed
EP-3746440-B1 PIPECOLIC ESTERS FOR INHIBITION OF THE PROTEASOME UNIV TEXAS (US) 2023-07-05 EP disclosed
EP-3495368-B1 (S)-4-(8-AMINO-3-(1-(BUT-2-YNOYL)PYRROLIDIN-2-YL)IMIDAZO[1,5-A]PYRAZIN-1-YL)-2-METHOXY-N-(PYRIDIN-2-YL)BENZAMIDE AS BTK-INHIBITOR MERCK SHARP & DOHME (NL) 2023-05-31 EP disclosed
US-20230122651-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
CN-110494433-B Bruton's tyrosine kinase inhibitors 廖细斌 2023-03-17 CN disclosed
US-11554118-B2 Bruton's tyrosine kinase inhibitors Liao, Xibin (US) 2023-01-17 US disclosed
US-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases KARANEWSKY DONALD S (US) 2002-07-11 US disclosed
US-20020061853-A1 Caspase inhibtors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2002-05-23 US disclosed
WO-2001090070-A2 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-11-29 WO disclosed
EP-1123272-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-08-16 EP disclosed
WO-2001040185-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 WO disclosed
US-6242422-B1 (Substituted)Acyl dipeptidyl inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACUETICALS, INC. 2001-06-05 US disclosed
WO-2000023421-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-04-27 WO disclosed
EP-0099056-B1 N-ACYL DERIVATIVES OF DIPEPTIDES, THEIR MANUFACTURE AND USE IN TREATING DISEASES, AND MEANS THEREFOR BASF Aktiengesellschaft (DE) 1987-09-30 EP disclosed
US-4610818-A N-acyl derivatives of dipeptides, their preparation and their use in the therapy of disorders, and agents for this purpose BASF AKTIENGESELLSCHAFT (DE) 1986-09-09 US disclosed
EP-0099056-A2 N-acyl derivatives of dipeptides, their manufacture and use in treating diseases, and means therefor BASF Aktiengesellschaft (DE) 1984-01-25 EP 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 (6 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-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 PREP 23/4885FKBP1A 270/4885CTRB1 418/4885
US-11974999-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK PREP 3233/4885FKBP1A 569/4885CTRB1 3762/4885
US-20230122651-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS F7, TUBA1C, TUBA4A PREP 3584/4885FKBP1A 195/4885CTRB1 1806/4885
US-20020061853-A1 Caspase inhibtors and uses thereof CASP2, CASP1, CASP3 PREP 64/4885FKBP1A 1593/4885CTRB1 441/4885
US-11554118-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK PREP 3233/4885FKBP1A 569/4885CTRB1 3762/4885
US-20230331729-A1 4-IMIDAZOPYRIDAZIN-1-YL-BENZAMIDES AS BTK INHIBITORS BTK, SYK, ABL1 PREP 2378/4885FKBP1A 1069/4885CTRB1 4075/4885

“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.