SCHEMBL16877403

SCHEMBL16877403

C1CCOC2(CCC2)CNC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 3/20 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
SCHEMBL16878044 0.93 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL16878382 0.93 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL23508855 0.91 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL16737709 0.91 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL346358 0.88 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL16878038 0.88 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL16877742 0.88 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL14838168 0.86 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL16878601 0.86 ALDH1A1 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL15958465 0.86

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-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-10 US disclosed
WO-2015103583-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-07-09 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-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE MGAM, BPGM, MRPL21 SLC6A2 4309/4885SLC6A4 4779/4885SLC6A3 4707/4885

“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.