SCHEMBL17003247

SCHEMBL17003247

COC(=O)c1ccc([C@@H]2C[C@H]2N(CC2CC2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
EZH2 Q15910 3/20 0.42
MAOA P21397 2/20 0.41
EZH1 Q92800 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.37
NR1H4 Q96RI1 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL17003245 1.00 KDM1A (0.48) KDM1AHDAC6HDAC8EZH2MAOA
SCHEMBL24890776 0.92 KDM1A (0.44) KDM1AHDAC6HDAC8EZH2MAOA
SCHEMBL17002642 0.89 KDM1A (0.45) KDM1AHDAC6HDAC8EZH2MAOA
SCHEMBL17002639 0.89 KDM1A (0.45) KDM1AHDAC6HDAC8EZH2MAOA
SCHEMBL24890530 0.87 KDM1A (0.47) KDM1AHDAC6HDAC8EZH2MAOA
SCHEMBL17003021 0.87 EZH2 (0.43) KDM1AHDAC6HDAC8EZH2MAOA
SCHEMBL17003023 0.87 EZH2 (0.43) KDM1AHDAC6HDAC8EZH2MAOA
SCHEMBL19590774 0.86 KDM1A (0.49) KDM1AHDAC6HDAC8EZH2MAOA
SCHEMBL24890929 0.85 KDM1A (0.57) KDM1AHDAC6HDAC8EZH2MAOA
SCHEMBL17002899 0.85 NR1H4 (0.40) KDM1AHDAC6HDAC8EZH2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2907802-B1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 EP disclosed
US-9751885-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 US disclosed
US-20150266881-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 US disclosed
EP-2907802-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2015-08-19 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-20150266881-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF BHMT, HNMT, KDM1A KDM1A 3/4885HDAC6 315/4885HDAC8 336/4885

“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.