SCHEMBL18857083

SCHEMBL18857083

COc1ccc2c(ccn2CCC(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.64
MTNR1A P48039 3/20 0.54
MTNR1B P49286 3/20 0.54
HTR2A P28223 1/20 0.51
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PRMT5 O14744 3/20 0.45
GRM2 Q14416 2/20 0.45
HTR7 P34969 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL22930100 0.91 HTR2C (0.61) HTR2CMTNR1AMTNR1BHTR2AKDM4E
SCHEMBL13662241 0.89 HTR2C (0.65) HTR2CMTNR1AMTNR1BHTR2AMAPT
SCHEMBL22930056 0.84 HTR2C (0.77) HTR2CMTNR1AMTNR1BHTR2AKDM4E
SCHEMBL18857024 0.82 MTNR1A (0.62) HTR2CMTNR1AMTNR1BHTR2AKDM4E
SCHEMBL3817124 0.81 HTR2C (0.59) HTR2CMTNR1AMTNR1BHTR2AKDM4E
SCHEMBL4204521 0.81 MTNR1A (0.60) HTR2CMTNR1AMTNR1BHTR2AKDM4E
SCHEMBL6803161 0.81 HTR2C (0.63) HTR2CMTNR1AMTNR1BHTR2AKDM4E
SCHEMBL18857020 0.81 HTR2C (0.59) HTR2CMTNR1AMTNR1BHTR2AKDM4E
SCHEMBL13282874 0.81 HTR2C (0.62) HTR2CHTR2AMAPTPRMT5HTR7
SCHEMBL22930055 0.79 HTR2C (0.63) HTR2CHTR2APRMT5HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2021-02-02 US disclosed
WO-2017082924-A1 PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2017-05-18 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 (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-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use PLK1, POLR1E, POLK HTR2C 4526/4885MTNR1A 2835/4885MTNR1B 2933/4885

“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.