SCHEMBL3673224

SCHEMBL3673224

C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC)c1ccnc2ccc(OC)cc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.82
CYP2D6 P10635 6/20 0.82
ALDH1A1 P00352 5/20 0.82
ABCB1 P08183 4/20 0.82
SLC22A1 O15245 3/20 0.82
ABCB11 O95342 3/20 0.82
ADRA2A P08913 3/20 0.82
SLC6A4 P31645 3/20 0.82
OPRM1 P35372 3/20 0.82
SCN1A P35498 3/20 0.82
KCNH2 Q12809 3/20 0.82
SCN2A Q99250 3/20 0.82
SCN3A Q9NY46 3/20 0.82
CYP3A4 P08684 3/20 0.82
HSD17B10 Q99714 3/20 0.82
SLC22A2 O15244 2/20 0.82
MEN1 O00255 2/20 0.82
KMT2A Q03164 2/20 0.82
THRB P10828 1/20 0.82
ABCC4 O15439 1/20 0.82

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
SCHEMBL10102474 1.00 KDM4E (0.82) KDM4ECYP2D6ALDH1A1ABCB1SLC22A1
SCHEMBL25588913 1.00 KDM4E (0.82) KDM4ECYP2D6ALDH1A1ABCB1SLC22A1
SCHEMBL10102106 1.00 KDM4E (0.82) KDM4ECYP2D6ALDH1A1ABCB1SLC22A1
SCHEMBL3680691 1.00 KDM4E (0.82) KDM4ECYP2D6ALDH1A1ABCB1SLC22A1
SCHEMBL6549252 0.94 KDM4E (0.82) KDM4ECYP2D6ALDH1A1ABCB1SLC22A1
SCHEMBL3272863 0.93 KDM4E (0.82) KDM4ECYP2D6ALDH1A1ABCB1SLC22A1
SCHEMBL10936769 0.93 KDM4E (0.79) KDM4ECYP2D6ALDH1A1ABCB1SLC22A1
SCHEMBL5866995 0.93 KDM4E (0.79) KDM4ECYP2D6ALDH1A1ABCB1SLC22A1
SCHEMBL5307109 0.93 KDM4E (0.82) KDM4ECYP2D6ALDH1A1ABCB1SLC22A1
SCHEMBL3675730 0.92 CYP3A4 (0.78) KDM4ECYP2D6ALDH1A1ABCB1SLC22A1

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
WO-2024064214-A2 SYNTHESIS OF CYCLOPROPANE CARBOXYLIC ACIDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-28 WO disclosed
CN-111836892-A Materials and methods for treating type 2A uker syndrome 克里斯珀医疗股份公司 2020-10-27 CN disclosed
CN-102459597-B Treatment of dystrophin family-related diseases by inhibition of natural antisense transcript to DMD family 库尔纳公司 2020-06-30 CN disclosed
US-20170037425-A1 METHOD FOR IMPROVING PLANT TRAIT SHANGHAI INSTITUTES FOR BIOLOGICAL SCIENCES, CHINESE ACADEMY OF SCIENCES (CN) 2017-02-09 US disclosed
CN-104140540-A Preparation method of rosin tackifying resin emulsion GUANGXI ZHONGCHANG RESIN CO LTD 2014-11-12 CN disclosed
US-7649094-B2 Optically active compounds, method for kinetic optical resolution of carboxylic acid derivatives and catalysts therefor DAISO CO., LTD. (JP) 2010-01-19 US disclosed
EP-1477488-B1 NOVEL OPTICALLY ACTIVE COMPOUNDS, METHOD FOR KINETIC OPTICAL RESOLUTION OF CARBOXYLIC ACID DERIVATIVES AND CATALYSTS THEREFOR DAISO CO LTD (JP) 2009-08-26 EP disclosed
US-20050154209-A1 Novel optically active compounds, method for kinetic optical resolution of carboxylic acid derivatives and catalysts therefor OSAKA SODA CO., LTD. (JP) 2005-07-14 US disclosed
EP-1534747-A2 POLYMORPHISMS IN THE HUMAN GENES FOR OCT1 AND THEIR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS Epidauros Biotechnologie AG (DE) 2005-06-01 EP disclosed
EP-1477488-A1 NOVEL OPTICALLY ACTIVE COMPOUNDS, METHOD FOR KINETIC OPTICAL RESOLUTION OF CARBOXYLIC ACID DERIVATIVES AND CATALYSTS THEREFOR DAISO CO., LTD. (JP) 2004-11-17 EP disclosed
WO-2004018512-A2 POLYMORPHISMS IN THE HUMAN GENES FOR OCT1 AND THEIR USE IN DIAGNOSTIC AND THERAPEUTIC APPLICATIONS EPIDAUROS BIOTECHNOLOGIE AG (DE) 2004-03-04 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 (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-20050154209-A1 Novel optically active compounds, method for kinetic optical resolution of carboxylic acid derivatives and catalysts therefor FAR1, TECR, FFAR1 KDM4E 3634/4885CYP2D6 324/4885ALDH1A1 78/4885

“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.