SCHEMBL6963018

SCHEMBL6963018

CC(C)Oc1cccc(CCN)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.66
ACHE P22303 3/20 0.60
DHFR P00374 1/20 0.49
MAOB P27338 2/20 0.48
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44

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
Hydrochloric Acid SCHEMBL14157348 0.98 TAAR1 (0.64) TAAR1ACHEDHFRMAOBDRD2
SCHEMBL25101090 0.86 TAAR1 (0.62) TAAR1ACHEMAOBDRD2DRD1
SCHEMBL756850 0.85 DHFR (0.51) TAAR1ACHEDHFRMAOBHCRTR1
SCHEMBL28121086 0.85 TAAR1 (0.60) TAAR1ACHEMAOBDRD2DRD1
SCHEMBL27987194 0.85 TAAR1 (0.60) TAAR1ACHEMAOBDRD2DRD1
SCHEMBL28121082 0.85 TAAR1 (0.60) TAAR1ACHEMAOBDRD2DRD1
SCHEMBL12881236 0.84 ALOX5 (0.49) TAAR1ACHEDHFRFFAR4
SCHEMBL1416835 0.82 CYP4F2 (0.56) TAAR1ACHEDHFRFFAR4
SCHEMBL14486728 0.82 DHFR (0.46) TAAR1ACHEDHFRFFAR4
SCHEMBL8053575 0.82 FFAR4 (0.49) TAAR1ACHEDHFRFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273528-A1 IMIDAZO[4,5-b]PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-09-27 US disclosed
EP-3356363-A1 NEW IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS DUAL DYRK1/CLK1 INHIBITORS Les Laboratoires Servier (FR) 2018-08-08 EP disclosed
CN-104946241-A One-dimensional organic semiconductor nanotube and its preparation method and use CHINESE ACAD INST CHEMISTRY 2015-09-30 CN disclosed
CN-101939326-B Method for producing cycloplatinized platinum complexes, platinum complexes produced by said method, and the use thereof RWTH AACHEN UNIVERSITY 2013-06-05 CN disclosed
WO-2012170561-A1 N-BENZYLINDOLE MODULATORS OF PPARG THE SCRIPPS RESEARCH INSTITUTE (T.S.R.I.) (US) 2012-12-13 WO disclosed
CN-101939326-A Method for producing cycloplatinized platinum complexes, platinum complexes produced by said method, and the use thereof RWTH AACHEN 2011-01-05 CN disclosed
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
US-5231181-A PROCESS FOR THE PREPARATION OF (8AS,12AS,13AS)-DECAHYDROISOQUINO ((2,1-G) (1,6)-NAPHTHYRIDIN-8-ONE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1993-07-27 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed
EP-0505183-A2 Process for the preparation of (8aS,12aS,13aS)-decahydroisoquino[2,1-g][1,6]-naphthyridin-8-one derivatives SYNTEX (U.S.A.) INC. (US) 1992-09-23 EP 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-20180273528-A1 IMIDAZO[4,5-b]PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IDH2, CYP4B1, RB1 TAAR1 2324/4885ACHE 174/4885DHFR 221/4885

“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.