SCHEMBL21837579

SCHEMBL21837579

C=CCCC(=O)NC(Cc1cccnc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 9/20 0.48
CMKLR2 P46091 1/20 0.48
CMKLR1 Q99788 1/20 0.48
FOLH1 Q04609 1/20 0.45
FAAH O00519 2/20 0.45
ECE1 P42892 1/20 0.45
ACE P12821 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL20467686 1.00 GPR132 (0.48) GPR132CMKLR2CMKLR1FOLH1FAAH
SCHEMBL16892796 0.86 ACE (0.58) FAAHECE1ACE
SCHEMBL13702561 0.83 ECE1 (0.48) ECE1POLB
SCHEMBL20467688 0.82 NLRP3 (0.41) GPR132CMKLR2CMKLR1ECE1ACE
SCHEMBL28366541 0.82 NLRP3 (0.41) GPR132CMKLR2CMKLR1ECE1ACE
SCHEMBL6307446 0.82 GPR132 (0.54) GPR132CMKLR2CMKLR1FOLH1ECE1
SCHEMBL6307451 0.82 GPR132 (0.54) GPR132CMKLR2CMKLR1FOLH1ECE1
SCHEMBL8086170 0.81 CYP1A2 (0.58) GPR132CMKLR2CMKLR1ACEPOLB
SCHEMBL2495367 0.81 CYP1A2 (0.58) GPR132CMKLR2CMKLR1ACEPOLB
SCHEMBL29603497 0.81 GPR132 (0.48) GPR132CMKLR2CMKLR1FOLH1ECE1

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
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-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-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 (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-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 GPR132 876/4885CMKLR2 161/4885CMKLR1 215/4885

“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.