SCHEMBL4073099

SCHEMBL4073099

COc1cccc(N2CCN(C(=O)CCCC(=O)O)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.71
ALDH1A1 P00352 2/20 0.71
KDM4E B2RXH2 1/20 0.71
TSHR P16473 1/20 0.71
MAPT P10636 7/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
ADAMTS5 Q9UNA0 1/20 0.59
LMNA P02545 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TP53 P04637 2/20 0.58
ADAMTS4 O75173 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KCNH2 Q12809 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL1377868 0.83 HDAC1 (0.61) SMN1; SMN2MAPTNPC1RAB9AADAMTS5
SCHEMBL7828151 0.83 LMNA (0.63) ALDH1A1TSHRMAPTADAMTS5LMNA
SCHEMBL14224740 0.83 LMNA (0.63) ALDH1A1MAPTADAMTS5LMNATP53
SCHEMBL7058493 0.83 KMT2A (0.62) ALDH1A1TSHRMAPTNPC1LMNA
SCHEMBL1376519 0.82 MAPT (0.58) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL9579424 0.82 MAPT (0.62) ALDH1A1TSHRMAPTADAMTS5LMNA
SCHEMBL4319359 0.81 KMT2A (0.63) ALDH1A1TSHRMAPTNPC1LMNA
SCHEMBL2114590 0.81 KCNH2 (0.68) MAPTTP53MEN1KMT2AKCNH2
SCHEMBL19709291 0.81 ADAMTS5 (0.60) SMN1; SMN2ALDH1A1MAPTADAMTS5LMNA
SCHEMBL4075869 0.81 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1KDM4ETSHRMAPT

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 SMN1; SMN2 1061/4885ALDH1A1 158/4885KDM4E 462/4885

“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.