SCHEMBL16730446

SCHEMBL16730446

c1c[nH]c(CNCc2cc(CNCc3ccc[nH]3)cc(-c3cc(CNCc4ccc[nH]4)cc(CNCc4ccc[nH]4)c3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRK1 P41145 1/20 0.32
MAOA P21397 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL31703898 0.84 MAOA (0.38) SLC6A2SLC6A4MAOA
SCHEMBL28677353 0.81 MEN1 (0.50) MAOAMEN1KMT2A
SCHEMBL16730447 0.80 SLC6A2 (0.33) SLC6A2SLC6A4
SCHEMBL13280554 0.76 MEN1 (0.41) SLC6A2SLC6A4MAOAMEN1KMT2A
SCHEMBL11270154 0.72
SCHEMBL13280691 0.72 CA12 (0.39) SLC6A2SLC6A4MAOAKDM4E
SCHEMBL30967714 0.69 CAPN1 (0.35)
SCHEMBL1230828 0.69 MC4R (0.41) SLC6A2SLC6A4MAOAKDM4EMEN1
SCHEMBL30967720 0.69 OPRK1 (0.65) OPRK1
SCHEMBL22593354 0.69

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-9296688-B2 Carbohydrate-selective receptors NEW YORK UNIVERSITY (US) 2016-03-29 US disclosed
US-20150141480-A1 CARBOHYDRATE-SELECTIVE RECEPTORS NEW YORK UNIVERSITY (US) 2015-05-21 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-20150141480-A1 CARBOHYDRATE-SELECTIVE RECEPTORS GPR119, GCGR, GALR1 SLC6A2 803/4885SLC6A4 628/4885OPRK1 504/4885

“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.