SCHEMBL21837576

SCHEMBL21837576

CN(C)CCOC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 7/20 0.41
OPRM1 P35372 3/20 0.40
DRD3 P35462 3/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
USP2 O75604 1/20 0.39
CYP2D6 P10635 2/20 0.39
BLM P54132 1/20 0.39
CHRM1 P11229 2/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL21837578 1.00 KDM4E (0.43) KDM4EPOLBALDH1A1OPRM1DRD3
SCHEMBL225196 0.82 CA12 (0.44) KDM4EALDH1A1SMN1; SMN2PPARGPPARA
SCHEMBL30854482 0.78 NR1H2 (0.44) SMN1; SMN2PPARGPPARASLC6A3
SCHEMBL21837626 0.76 MAPT (0.49) KDM4EALDH1A1PPARGPPARALMNA
SCHEMBL21837624 0.76 MAPT (0.49) KDM4EALDH1A1PPARGPPARALMNA
SCHEMBL7656123 0.75 MTNR1A (0.45) CYP2D6PPARGPPARAADRB2ADRB1
SCHEMBL7656116 0.75 MTNR1A (0.45) CYP2D6PPARGPPARAADRB2ADRB1
SCHEMBL18555414 0.74 ALDH1A1 (0.38) ALDH1A1CYP2D6PPARGPPARACYP1A2
SCHEMBL2748097 0.74 ALDH1A1 (0.38) ALDH1A1CYP2D6PPARGPPARACYP1A2
SCHEMBL7365265 0.74 MAPT (0.39) KDM4EPOLBALDH1A1CYP2D6BLM

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 11 patents. 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
CN-118184532-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-06-14 CN disclosed
CN-113454058-B Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-03-22 CN 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-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-03-30 US disclosed
EP-3896056-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-20 EP disclosed
CN-113454058-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound comprising the same, and method for producing the same 中外制药株式会社 2021-09-28 CN disclosed
WO-2020122182-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF 中外製薬株式会社 2020-06-18 WO disclosed
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-04-30 US disclosed
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 EP disclosed
CN-110869544-A Cyclic peptide compound having high membrane permeability and library containing same 中外制药株式会社 2020-03-06 CN 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 (2 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-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 KDM4E 4113/4885POLB 4724/4885ALDH1A1 4817/4885
US-20230096766-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF VIP, DNPEP, HM13 KDM4E 4568/4885POLB 4116/4885ALDH1A1 3772/4885

“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.