SCHEMBL22010754

SCHEMBL22010754

CNCc1c(C)oc2c(Oc3ccc(C#N)cc3)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.43
SLC6A4 P31645 4/20 0.41
CARM1 Q86X55 1/20 0.38
HTR2A P28223 4/20 0.38
KCNH2 Q12809 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
GCK P35557 1/20 0.36
CACNA1G O43497 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 1/20 0.35
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
Hydrochloric Acid SCHEMBL31033325 0.99 CACNA1B (0.42) CACNA1BSLC6A4CARM1HTR2AKCNH2
Hydrochloric Acid SCHEMBL28623346 0.99 CACNA1B (0.42) CACNA1BSLC6A4CARM1HTR2AKCNH2
SCHEMBL24923420 0.81 SLC6A4 (0.46) CACNA1BSLC6A4CARM1HTR2APDE4A
Hydrochloric Acid SCHEMBL31033311 0.81 POLB (0.38) SLC6A4GCKLMNASMN1; SMN2NMT2
SCHEMBL31033279 0.80 MTNR1B (0.40) SLC6A4HTR2AKCNH2
SCHEMBL21963791 0.80 MTNR1B (0.40) SLC6A4HTR2AKCNH2
SCHEMBL31033285 0.80 MTNR1B (0.40) SLC6A4HTR2AKCNH2
SCHEMBL18402876 0.79 CACNA1B (0.49) CACNA1BSLC6A4CARM1HTR2AKCNH2
SCHEMBL22010476 0.78 SLC6A4 (0.42) CACNA1BSLC6A4
SCHEMBL22010743 0.77 DRD2 (0.39) SLC6A4HTR2AKCNH2LMNASMN1; SMN2

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 CACNA1B 3459/4885SLC6A4 4369/4885CARM1 4748/4885

“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.