SCHEMBL2834940

SCHEMBL2834940

COc1cccc(-c2ccc(C(O)C(N)c3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
MAOB P27338 2/20 0.45
FFAR1 O14842 1/20 0.44
ALDH1A3 P47895 1/20 0.44
MAPT P10636 1/20 0.42
ABL1 P00519 2/20 0.41
ABCB1 P08183 2/20 0.41
BCR P11274 2/20 0.41
UTS2R Q9UKP6 2/20 0.41
HDAC4 P56524 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
GCGR P47871 1/20 0.40
MAPK14 Q16539 1/20 0.40
GSK3B P49841 1/20 0.40
CYP17A1 P05093 1/20 0.40
PLAU P00749 1/20 0.40
ACACB O00763 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7813589 1.00 CNR1 (0.47) CNR1MAOBFFAR1ALDH1A3MAPT
SCHEMBL15952875 0.86 AOC3 (0.50) CNR1UTS2RALDH1A1LMNA
SCHEMBL7813708 0.84 DHODH (0.41) CNR1GCGR
SCHEMBL2839098 0.84 DHODH (0.41) CNR1GCGR
SCHEMBL7813069 0.83 TAAR1 (0.47) CNR1MAOBFFAR1
SCHEMBL2839013 0.83 TAAR1 (0.47) CNR1MAOBFFAR1
SCHEMBL2842297 0.82 CNR1 (0.44) CNR1UTS2R
SCHEMBL7813572 0.82 CNR1 (0.44) CNR1UTS2R
SCHEMBL7809451 0.82 MKNK1 (0.50) CYP17A1
SCHEMBL2834190 0.82 MKNK1 (0.50) CYP17A1

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 CNR1 1002/4885MAOB 287/4885FFAR1 1477/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 CNR1 1002/4885MAOB 287/4885FFAR1 1477/4885

“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.