SCHEMBL4052907

SCHEMBL4052907

O=C(CCC(=O)c1ccccc1)NC1CCC(Cc2ccccc2)(N2CCCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ACKR3 P25106 1/20 0.46
EPHX2 P34913 2/20 0.46
EPHX1 P07099 1/20 0.45
CCR2 P41597 2/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ALDH1A1 P00352 4/20 0.41
GFER P55789 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.40
BDKRB1 P46663 1/20 0.40
DPP7 Q9UHL4 1/20 0.40

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
SCHEMBL4048364 0.93 ACKR3 (0.57) KMT2AACKR3EPHX2EPHX1ADRA1A
SCHEMBL16143727 0.83 EPHX2 (0.42) EPHX2EPHX1
SCHEMBL4046657 0.83 KMT2A (0.53) KMT2AACKR3EPHX2CCR2ADRA1D
SCHEMBL2972836 0.82 MEN1 (0.50) KMT2AEPHX2EPHX1MEN1
SCHEMBL2987472 0.82 NPSR1 (0.48) KMT2AEPHX2ALDH1A1SIGMAR1MEN1
SCHEMBL2983320 0.81 POLB (0.59) KMT2AALDH1A1MEN1
SCHEMBL2985459 0.81 POLB (0.59) KMT2AALDH1A1MEN1
SCHEMBL206481 0.81 MAPT (0.51) KMT2AALDH1A1MEN1
SCHEMBL7168651 0.77 EPHX2 (0.62) KMT2AACKR3EPHX2EPHX1ALDH1A1
SCHEMBL207001 0.77 FKBP1A (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 EP claimed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US claimed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 US claimed
EP-1751088-B1 OXO-SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-10-08 EP disclosed
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US disclosed
US-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-04-19 US 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-20070088034-A1 Oxo-substituted cyclohexyl-1,4-diamine compounds AOC1, ODC1, OTC KMT2A 3911/4885ACKR3 3574/4885EPHX2 1636/4885

“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.