SCHEMBL18857024

SCHEMBL18857024

CCCn1ccc2cc(OC)ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.62
MTNR1B P49286 5/20 0.62
HTR2C P28335 2/20 0.60
HTR2A P28223 1/20 0.55
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
SLC6A2 P23975 1/20 0.49
GRM2 Q14416 1/20 0.48
HTR6 P50406 2/20 0.48
HTR7 P34969 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NCOR2 Q9Y618 1/20 0.46

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
SCHEMBL10413240 0.90 MTNR1A (0.59) MTNR1AMTNR1BHTR2CHTR2AKDM4E
SCHEMBL18856948 0.89 MTNR1A (0.58) MTNR1AMTNR1BHTR2CHTR2AKDM4E
SCHEMBL4394621 0.87 MTNR1A (0.56) MTNR1AMTNR1BHTR2CHTR2AKDM4E
SCHEMBL4393136 0.87 MTNR1A (0.49) MTNR1AMTNR1BHTR2CHTR2AKDM4E
SCHEMBL7232114 0.86 HTR2C (0.64) MTNR1AMTNR1BHTR2CHTR2AKDM4E
SCHEMBL3817124 0.85 HTR2C (0.59) MTNR1AMTNR1BHTR2CHTR2AKDM4E
SCHEMBL4204521 0.85 MTNR1A (0.60) MTNR1AMTNR1BHTR2CHTR2AKDM4E
SCHEMBL18857020 0.85 HTR2C (0.59) MTNR1AMTNR1BHTR2CHTR2AKDM4E
SCHEMBL6803161 0.85 HTR2C (0.63) MTNR1AMTNR1BHTR2CHTR2AKDM4E
SCHEMBL23956095 0.82 HTR7 (0.67) MTNR1AMTNR1BHTR2CHTR2AHTR7

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
WO-2022081631-A1 GPCR SCREENING METHOD TO IDENTIFY NON-HALLUCINOGENIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 WO disclosed
CN-109748840-B Synthetic method of 2-substituted indole derivative 中国医学科学院药物研究所 2021-12-07 CN disclosed
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
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (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-10905769-B2 Peptide and peptide mimetic binding antagonists of polo-like kinase 1 polo box domain and methods of use PLK1, POLR1E, POLK MTNR1A 2835/4885MTNR1B 2933/4885HTR2C 4526/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 MTNR1A 1704/4885MTNR1B 1599/4885HTR2C 4575/4885

“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.