SCHEMBL637388

SCHEMBL637388

COc1ccc(CC(N)(Cc2ccc(OC)cc2)C(N)CC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.50
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
AOC3 Q16853 2/20 0.42
IDO1 P14902 3/20 0.41
AGXT P21549 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CASR P41180 1/20 0.38

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
SCHEMBL635989 0.83 SLC6A4 (0.56) SLC6A4CYP1A2CYP2D6CYP2C19AOC3
SCHEMBL6325819 0.80 SLC6A4 (0.54) SLC6A4CYP1A2CYP2D6CYP2C19AOC3
SCHEMBL636064 0.80 SLC6A4 (0.53) SLC6A4CYP1A2CYP2D6CYP2C19AOC3
SCHEMBL3946088 0.80 SLC6A4 (0.53) SLC6A4CYP1A2CYP2D6CYP2C19AOC3
SCHEMBL636098 0.78 SLC6A4 (0.51) SLC6A4CYP1A2CYP2D6CYP2C19TAAR1
SCHEMBL637387 0.77 SLC6A4 (0.44) SLC6A4CYP1A2CYP2D6CYP2C19AOC3
SCHEMBL6327948 0.73 SLC6A4 (0.57) SLC6A4CYP1A2CYP2D6CYP2C19IDO1
SCHEMBL1152830 0.72 AOC3 (0.44) SLC6A4CYP1A2CYP2D6CYP2C19AOC3
SCHEMBL1152832 0.72 AOC3 (0.44) SLC6A4CYP1A2CYP2D6CYP2C19AOC3
Hydrochloric Acid SCHEMBL10276302 0.71 SLC6A4 (0.65) SLC6A4CYP1A2CYP2D6CYP2C19AOC3

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12129249-B2 Method for producing optically active compound DAY ONE BIOPHARMACEUTICALS, INC. (US) 2024-10-29 US disclosed
EP-4406609-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Day One Biopharmaceuticals, Inc. (US) 2024-07-31 EP disclosed
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2021-11-11 US disclosed
US-10988469-B2 Method for producing optically active compound DOT THERAPEUTICS-1, INC. (US) 2021-04-27 US disclosed
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2020-10-08 US disclosed
EP-3632441-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Millennium Pharmaceuticals, Inc. (US) 2020-04-08 EP disclosed
US-20180079741-A1 PROCESS FOR PRODUCING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2018-03-22 US disclosed
US-9809569-B2 Process for producing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-11-07 US disclosed
US-20170081305-A1 PROCESS FOR PRODUCING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-23 US disclosed
EP-3118192-A1 PROCESS FOR PRODUCING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-01-18 EP disclosed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 EP disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
US-7326784-B2 Intermediates for the preparation of tricyclic dihydropyrano-imidazo-pyridines derivatives ALTANA PHARMA AG (DE) 2008-02-05 US disclosed
WO-2007141253-A1 PROCESS FOR THE PRODUCTION OF INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC IMIDAZOPYRIDINES NYCOMED GMBH (DE) 2007-12-13 WO disclosed
US-20070117786-A1 Intermediates for the preparation of tricyclic dihydropyrano-imidazo-pyridines derivatives ALTANA PHARMA AG (DE) 2007-05-24 US disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 WO disclosed
EP-1697358-A1 INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC DIHYDROPYRANO -IMIDAZO -PYRIDINES DERIVATIVES Altana Pharma AG (DE) 2006-09-06 EP disclosed
WO-2005058894-A1 INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC DIHYDROPYRANO -IMIDAZO -PYRIDINES DERIVATIVES ALTANA PHARMA AG (DE) 2005-06-30 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 (9 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-20170081305-A1 PROCESS FOR PRODUCING HETEROCYCLIC COMPOUND DHPS, QDPR, DPYD SLC6A4 2573/4885CYP1A2 28/4885CYP2D6 29/4885
US-10988469-B2 Method for producing optically active compound DHPS, QDPR, SPR SLC6A4 1615/4885CYP1A2 1113/4885CYP2D6 484/4885
US-20070117786-A1 Intermediates for the preparation of tricyclic dihydropyrano-imidazo-pyridines derivatives CYP1A1, CYP3A4, CYP19A1 SLC6A4 4110/4885CYP1A2 5/4885CYP2D6 19/4885
US-20180079741-A1 PROCESS FOR PRODUCING HETEROCYCLIC COMPOUND DHPS, QDPR, DPYD SLC6A4 2573/4885CYP1A2 28/4885CYP2D6 29/4885
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR SLC6A4 1615/4885CYP1A2 1113/4885CYP2D6 484/4885
US-12129249-B2 Method for producing optically active compound DHPS, QDPR, SPR SLC6A4 1615/4885CYP1A2 1113/4885CYP2D6 484/4885
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same MVD, C5, C1S SLC6A4 3807/4885CYP1A2 45/4885CYP2D6 4/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 SLC6A4 3334/4885CYP1A2 7/4885CYP2D6 23/4885
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR SLC6A4 1615/4885CYP1A2 1113/4885CYP2D6 484/4885

“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.