SCHEMBL2839110

SCHEMBL2839110

COCc1cccc(OBOc2cccc(COC)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
MAOB P27338 7/20 0.44
TAAR1 Q96RJ0 3/20 0.42
ABCB1 P08183 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL25485110 0.85 IDO1 (0.47) IDO1AGXTMAOBTAAR1CYP4F2
SCHEMBL20795337 0.82 IDO1 (0.55) IDO1AGXTMAOBTAAR1
SCHEMBL31264 0.82 IDO1 (0.71) IDO1AGXTMAOBTAAR1ABCB1
SCHEMBL22875 0.81 MAOB (0.68) IDO1AGXTMAOBABCB1HTR1A
SCHEMBL2525689 0.80 KDM4E (0.46) IDO1AGXTTAAR1
SCHEMBL487468 0.79 IDO1 (0.48) IDO1AGXTMAOB
SCHEMBL11964290 0.77 TP53 (0.53) IDO1AGXTMAOBCHRM2CHRM1
SCHEMBL21116575 0.77 IDO1 (0.50) IDO1AGXTMAOBABCB1HTR1A
SCHEMBL2093737 0.77 KDM4E (0.55) IDO1AGXTMAOB
SCHEMBL19953 0.76 PNMT (0.47) IDO1AGXTMAOBTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396322-B9 2-Morpholino-pyrido[3,2-d]pyrimidines MERCK SERONO SA (CH) 2016-09-14 EP disclosed
EP-2396322-B1 2-Morpholino-pyrido[3,2-d]pyrimidines MERCK SERONO SA (CH) 2016-02-03 EP disclosed
US-8609666-B2 2-morpholino-pyrido[3,2-D]pyrimidines MERCK SERONO SA (CH) 2013-12-17 US disclosed
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
EP-2396322-A1 2-MORPHOLINO-PYRIDOÝ3,2-D¨PYRIMIDINES Merck Serono SA (CH) 2011-12-21 EP disclosed
US-20110293564-A1 2-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO S.A. (CH) 2011-12-01 US 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
WO-2010091996-A1 2-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO S.A. (CH) 2010-08-19 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 (3 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-20110293564-A1 2-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES PIK3CA, PIK3CD, PIK3CB IDO1 516/4885AGXT 4847/4885MAOB 2276/4885
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 IDO1 492/4885AGXT 21/4885MAOB 287/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 IDO1 492/4885AGXT 21/4885MAOB 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.