SCHEMBL17484485

SCHEMBL17484485

NCCCCN1CC[C@@H](n2cc3c(nc2=O)[nH]c2ccccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.43
CHRM1 P11229 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CA5A P35218 1/20 0.36
PDE6D O43924 2/20 0.36
PDE5A O76074 2/20 0.36
PDE6A P16499 2/20 0.36
PDE6G P18545 2/20 0.36
PDE6B P35913 2/20 0.36
PDE6C P51160 2/20 0.36
PDE6H Q13956 2/20 0.36
PDE11A Q9HCR9 2/20 0.36
CHRM3 P20309 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP1 P09874 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
SCHEMBL12061561 1.00 SLC6A4 (0.43) SLC6A4CHRM1CYP2D6CYP2C9ADRA1D
SCHEMBL14077 0.95 SLC6A4 (0.47) SLC6A4CHRM1CYP2D6CYP2C9ADRA1D
SCHEMBL14035 0.92 SLC6A4 (0.39) SLC6A4CA5AMEN1KMT2APARP1
SCHEMBL12062415 0.91 CHRM1 (0.48) CHRM1CYP2D6CYP2C9PDE6DPDE5A
SCHEMBL14551 0.88 ADRA1D (0.52) ADRA1DADRA1AADRA1B
SCHEMBL13698 0.87 DRD2 (0.37) SLC6A4CHRM1CYP2D6
SCHEMBL14463 0.82 DRD2 (0.44)
SCHEMBL14539 0.79 ADRA2C (0.36) MEN1KMT2A
SCHEMBL14574 0.76 DRD2 (0.36)
SCHEMBL7550 0.75 PDE5A (0.34) CYP2C9ADRA1DADRA1AADRA1BCA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US 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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SLC6A4 4116/4885CHRM1 4701/4885CYP2D6 993/4885

“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.