SCHEMBL22010743

SCHEMBL22010743

CNCc1c(C)oc2c(Oc3ccc4c(c3)OCO4)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
HTR2A P28223 3/20 0.39
SLC6A4 P31645 3/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
PDE5A O76074 1/20 0.37
MAOB P27338 4/20 0.36
KCNH2 Q12809 2/20 0.36
HPGD P15428 3/20 0.35
MAOA P21397 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL31033269 1.00 DRD2 (0.39) DRD2HTR2ASLC6A4NPC1RAB9A
SCHEMBL21963723 0.84 HTR2A (0.37) HTR2ASLC6A4MAOBKCNH2
SCHEMBL24923422 0.81 NPC1 (0.35) DRD2NPC1RAB9AALDH1A1MAPK1
SCHEMBL31033279 0.81 MTNR1B (0.40) HTR2ASLC6A4KCNH2MAOAKDM4E
SCHEMBL31033285 0.81 MTNR1B (0.40) HTR2ASLC6A4KCNH2MAOAKDM4E
SCHEMBL21963791 0.81 MTNR1B (0.40) HTR2ASLC6A4KCNH2MAOAKDM4E
SCHEMBL31033315 0.79 ALDH1A1 (0.40) DRD2NPC1RAB9AALDH1A1MAPK1
SCHEMBL21964003 0.78 MEN1 (0.39) HTR2AALDH1A1LMNATP53PDE5A
SCHEMBL22010754 0.77 CACNA1B (0.43) HTR2ASLC6A4LMNASMN1; SMN2KCNH2
SCHEMBL22010496 0.77 SLC6A4 (0.34) DRD2HTR2ASLC6A4KCNH2

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-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
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 (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-20230035837-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF GMPS, GNE, GANC DRD2 3298/4885HTR2A 4322/4885SLC6A4 4369/4885

“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.