SCHEMBL636098

SCHEMBL636098

COc1ccc(CC(N)(Cc2ccc(OC)cc2)C(N)Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.51
LTA4H P09960 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
LDHA P00338 1/20 0.45
SIGMAR1 Q99720 3/20 0.45
BACE1 P56817 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL28241167 0.85 EPHX1 (0.52) SLC6A4CYP2D6SIGMAR1TAAR1MAOA
SCHEMBL6325819 0.84 SLC6A4 (0.54) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL636097 0.80 ALDH1A1 (0.49) SLC6A4LTA4HCYP1A2CYP2D6CYP2C19
SCHEMBL27838804 0.79 SLC6A2 (0.47) SLC6A4CYP2D6SIGMAR1TAAR1MAOA
SCHEMBL637388 0.78 SLC6A4 (0.50) SLC6A4CYP1A2CYP2D6CYP2C19TAAR1
SCHEMBL635989 0.77 SLC6A4 (0.56) SLC6A4CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2671508 0.77 LTA4H (0.60) LTA4HALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL6327948 0.77 SLC6A4 (0.57) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL1153290 0.76 KDM4E (0.69) SLC6A4LTA4HCYP1A2CYP2D6CYP2C19
SCHEMBL1153287 0.76 KDM4E (0.69) SLC6A4LTA4HCYP1A2CYP2D6CYP2C19

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 21 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
CN-106458897-A Process for producing heterocyclic compound 武田药品工业株式会社 2017-02-22 CN disclosed
US-9238667-B2 Rhodium catalyst and method for producing amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-8981147-B2 Diphosphine ligand and transition metal complex using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND SPERA PHARMA, INC. (JP) 2015-02-19 US disclosed
EP-2832738-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-04 EP disclosed
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-19 US disclosed
EP-1927596-B9 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2013-05-15 EP disclosed
EP-1927596-B1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME TAKEDA PHARMACEUTICAL (JP) 2012-08-01 EP disclosed
EP-2420507-A1 Diphosphine ligand and transition metal complex using the same Takeda Pharmaceutical Company Limited (JP) 2012-02-22 EP disclosed
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-10-29 US disclosed
EP-1927596-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME Takeda Pharmaceutical Company Limited (JP) 2008-06-04 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 (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 2573/4885LTA4H 2030/4885CYP1A2 28/4885
US-10988469-B2 Method for producing optically active compound DHPS, QDPR, SPR SLC6A4 1615/4885LTA4H 1564/4885CYP1A2 1113/4885
US-20180079741-A1 PROCESS FOR PRODUCING HETEROCYCLIC COMPOUND DHPS, QDPR, DPYD SLC6A4 2573/4885LTA4H 2030/4885CYP1A2 28/4885
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR SLC6A4 1615/4885LTA4H 1564/4885CYP1A2 1113/4885
US-20150051416-A1 RHODIUM CATALYST AND METHOD FOR PRODUCING AMINE COMPOUND PRMT7, PRMT5, HNMT SLC6A4 544/4885LTA4H 4083/4885CYP1A2 235/4885
US-12129249-B2 Method for producing optically active compound DHPS, QDPR, SPR SLC6A4 1615/4885LTA4H 1564/4885CYP1A2 1113/4885
US-20090270635-A1 Diphosphine Ligand and Transition Metal Complex Using the Same MVD, C5, C1S SLC6A4 3807/4885LTA4H 684/4885CYP1A2 45/4885
US-20140171655-A1 DIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX USING THE SAME MVD, C5, C1S SLC6A4 3807/4885LTA4H 684/4885CYP1A2 45/4885
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR SLC6A4 1615/4885LTA4H 1564/4885CYP1A2 1113/4885

“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.