SCHEMBL16730447

SCHEMBL16730447

C1=CC(CNCc2cc(CNCc3ccc[nH]3)cc(-c3cc(CNCc4ccc[nH]4)cc(CNCC4C=CCN4)c3)c2)NC1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL16730446 0.80 SLC6A2 (0.32) SLC6A2SLC6A4
SCHEMBL31703898 0.67 MAOA (0.38) SLC6A2SLC6A4
SCHEMBL28677353 0.65 MEN1 (0.50)
SCHEMBL13280543 0.61 POLB (0.43) SLC6A2SLC6A4
SCHEMBL13280554 0.61 MEN1 (0.41) SLC6A2SLC6A4
SCHEMBL13280691 0.58 CA12 (0.39) SLC6A2SLC6A4
SCHEMBL11270154 0.58
SCHEMBL1230828 0.56 MC4R (0.41) SLC6A2SLC6A4
SCHEMBL30967714 0.56 CAPN1 (0.35)
SCHEMBL30967720 0.55 OPRK1 (0.65)

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 628/4885

“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.