SCHEMBL4144741

SCHEMBL4144741

C1COC(C[C@H]2CO2)CN1.ON1CCOC(C[C@H]2CO2)C1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
SLC6A3 Q01959 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
Ammonia Solution, Strong SCHEMBL27991104 0.80 SLC6A2 (0.38) ADRB2HTR1ASLC6A2HTR2ASLC6A4
Methane SCHEMBL28834627 0.80 SLC6A2 (0.38) ADRB2HTR1ASLC6A2HTR2ASLC6A4
Methane SCHEMBL28101368 0.77 SLC6A2 (0.36) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL536771 0.76 SLC6A2 (0.42) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL27864779 0.75 SLC6A2 (0.36) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL24525604 0.67 MEN1 (0.39) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL10724077 0.65
SCHEMBL15599652 0.65 SLC6A2 (0.38) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL554471 0.65
SCHEMBL619548 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 ADRB2 719/4885HTR1A 278/4885SLC6A2 789/4885

“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.