SCHEMBL2834065

SCHEMBL2834065

CN(C)c1cccc(-c2ccc(C(O)C(N)c3ccc(Cl)c(Cl)c3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.50
SLC6A4 P31645 11/20 0.50
SLC6A3 Q01959 11/20 0.50
CYP3A4 P08684 9/20 0.50
CYP2D6 P10635 9/20 0.50
PTPN5 P54829 4/20 0.43
FFAR1 O14842 1/20 0.42
KCNH2 Q12809 6/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL7813194 1.00 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2833832 0.79 FFAR1 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL7812261 0.78 CYP3A4 (0.52) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL2841303 0.78 RXRA (0.49) SLC6A2SLC6A4SLC6A3PTPN5KCNH2
SCHEMBL7813925 0.78 RXRA (0.49) SLC6A2SLC6A4SLC6A3PTPN5KCNH2
SCHEMBL2840125 0.78 DPP4 (0.46) CYP3A4CYP2D6PTPN5
SCHEMBL7813919 0.78 DPP4 (0.46) CYP3A4CYP2D6PTPN5
SCHEMBL7813356 0.76 CYP3A4 (0.51) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL2836748 0.76 CYP3A4 (0.51) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL2838945 0.74 KDR (0.50) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP claimed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO claimed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US claimed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (2 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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 SLC6A2 13/4885SLC6A4 33/4885SLC6A3 12/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 SLC6A2 13/4885SLC6A4 33/4885SLC6A3 12/4885

“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.