SCHEMBL3174209

SCHEMBL3174209

CC(C)N(C)C[C@@H](N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.50
GBA1 P04062 2/20 0.49
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
TAAR1 Q96RJ0 2/20 0.42
SCN4A P35499 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL3174219 1.00 AOC3 (0.50) AOC3GBA1HTR2AHRH1TDP1
SCHEMBL4453664 0.82 AOC3 (0.47) AOC3GBA1HTR2AHRH1TDP1
SCHEMBL2295530 0.81 HTR2A (0.64) AOC3GBA1HTR2AHRH1TDP1
SCHEMBL1206311 0.81 HTR2A (0.64) AOC3GBA1HTR2AHRH1TDP1
SCHEMBL1206312 0.81 HTR2A (0.64) AOC3GBA1HTR2AHRH1TDP1
Hydrochloric Acid SCHEMBL20238142 0.79 TDP1 (0.65) AOC3GBA1HTR2AHRH1TDP1
Hydrochloric Acid SCHEMBL20238217 0.79 TDP1 (0.65) AOC3GBA1HTR2AHRH1TDP1
Hydrochloric Acid SCHEMBL28133965 0.79 TDP1 (0.65) AOC3GBA1HTR2AHRH1TDP1
SCHEMBL1205242 0.76 AOC3 (0.63) AOC3HTR2AHRH1TDP1TAAR1
SCHEMBL4455539 0.73 SIGMAR1 (0.48) AOC3GBA1HTR2AHRH1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016374-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016374-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016374-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
EP-2001831-A2 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2008-12-17 EP disclosed
WO-2007113309-A2 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113309-A2 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-10-11 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-20100016374-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof SLC6A5, SLC6A9, SLC6A19 AOC3 787/4885GBA1 1302/4885HTR2A 1045/4885

“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.