SCHEMBL4074069

SCHEMBL4074069

O=C(O)CCCC(=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TSHR P16473 1/20 0.57
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HTR7 P34969 4/20 0.51
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CACNA1G O43497 3/20 0.47
CYP2A13 Q16696 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HTR1A P08908 2/20 0.46
DPP8 Q6V1X1 1/20 0.45
POLB P06746 1/20 0.45
RBP4 P02753 1/20 0.45

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
SCHEMBL10989980 0.81 KMT2A (0.62) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4078294 0.73 CCR2 (0.61) KMT2AALDH1A1
SCHEMBL27564838 0.72 ALDH1A1 (0.70) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4072689 0.72 ALDH1A1 (0.70) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL10981139 0.71 HTR7 (0.63) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2131424 0.70 ABL1 (0.63) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2445773 0.70 CXCR4 (0.54) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL15224158 0.70 SIGMAR1 (0.73) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL10978427 0.70 HTR7 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2HTR7
SCHEMBL18917989 0.70 ALDH1A1 (0.60) MEN1KMT2AALDH1A1KDM4ENPC1

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-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP disclosed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 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-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD MEN1 713/4885KMT2A 3604/4885ALDH1A1 158/4885

“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.