SCHEMBL2839013

SCHEMBL2839013

NC(c1ccc(Cl)cc1)C(O)c1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
ALOX5 P09917 2/20 0.45
MAOB P27338 2/20 0.44
FFAR1 O14842 1/20 0.42
ESR2 Q92731 1/20 0.41
PGR P06401 1/20 0.40
PRCP P42785 1/20 0.40
CYP1A2 P05177 1/20 0.38
CNR1 P21554 1/20 0.38
BACE1 P56817 1/20 0.38
JAK2 O60674 1/20 0.37
GRM5 P41594 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
MAP4K4 O95819 2/20 0.36

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
SCHEMBL7813069 1.00 TAAR1 (0.47) TAAR1ALOX5MAOBFFAR1ESR2
SCHEMBL7813572 0.87 CNR1 (0.44) PRCPCNR1
SCHEMBL2842297 0.87 CNR1 (0.44) PRCPCNR1
SCHEMBL17404414 0.83 OPRM1 (0.44)
SCHEMBL15989541 0.83 OPRM1 (0.44)
SCHEMBL14847910 0.83 OPRM1 (0.44)
SCHEMBL15989545 0.83 OPRM1 (0.44)
SCHEMBL14847512 0.83 OPRM1 (0.44)
SCHEMBL14847510 0.83 OPRM1 (0.44)
SCHEMBL17402261 0.83 OPRM1 (0.44)

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 TAAR1 71/4885ALOX5 2352/4885MAOB 287/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 TAAR1 71/4885ALOX5 2352/4885MAOB 287/4885

“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.