SCHEMBL21963791

SCHEMBL21963791

CNCc1c(C)oc2c(Oc3cccc(OC)c3)cccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.40
SLC6A4 P31645 7/20 0.38
HTR2A P28223 4/20 0.38
KDM4E B2RXH2 3/20 0.38
KCNH2 Q12809 2/20 0.38
GLA P06280 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 2/20 0.38
HSD17B10 Q99714 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL31033279 1.00 MTNR1B (0.40) MTNR1BSLC6A4HTR2AKDM4EKCNH2
SCHEMBL31033285 1.00 MTNR1B (0.40) MTNR1BSLC6A4HTR2AKDM4EKCNH2
SCHEMBL31033269 0.81 DRD2 (0.39) SLC6A4HTR2AKDM4EKCNH2MAOA
SCHEMBL22010743 0.81 DRD2 (0.39) SLC6A4HTR2AKDM4EKCNH2MAOA
SCHEMBL22010754 0.80 CACNA1B (0.43) SLC6A4HTR2AKCNH2
SCHEMBL24923426 0.79 KDM4E (0.36) MTNR1BKDM4EGLAMAOAHSD17B10
Hydrochloric Acid SCHEMBL31033325 0.79 CACNA1B (0.42) SLC6A4HTR2AKCNH2
SCHEMBL21963723 0.78 HTR2A (0.37) MTNR1BSLC6A4HTR2AKCNH2
SCHEMBL21963860 0.78 KMT2A (0.44) MAOA
SCHEMBL22010496 0.77 SLC6A4 (0.34) SLC6A4HTR2AKCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545672-B2 Antibiotic compounds, methods of manufacturing the same, pharmaceutical compositions containing the same and uses thereof DEBIOPHARM INTERNATIONAL S.A. (CH) 2026-02-10 US disclosed
EP-3880675-B1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INT SA (CH) 2024-11-06 EP disclosed
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2023-02-02 US disclosed
EP-3880675-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF Debiopharm International SA (CH) 2021-09-22 EP disclosed
CN-113272302-A Antibiotic compounds, process for their manufacture, pharmaceutical compositions containing them and their use 德彪药业国际股份公司 2021-08-17 CN disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 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-12545672-B2 Antibiotic compounds, methods of manufacturing the same, pharmaceutical compositions containing the same and uses thereof MRPL21, EMG1, RRS1 MTNR1B 1361/4885SLC6A4 3624/4885HTR2A 2824/4885
US-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC MTNR1B 4234/4885SLC6A4 4369/4885HTR2A 4322/4885

“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.