SCHEMBL2989096

SCHEMBL2989096

Cc1ccccc1CC1(N(C)C)CCC(NC(=O)COc2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 4/20 0.58
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL2984841 0.92 LMNA (0.48) ATF4LMNASMN1; SMN2HPGDMAPK1
SCHEMBL2985870 0.91 ATF4 (0.59) ATF4LMNASMN1; SMN2HPGDMAPK1
SCHEMBL2981361 0.89 ATF4 (0.57) ATF4LMNASMN1; SMN2HPGDMAPK1
SCHEMBL2987483 0.87 ATF4 (0.61) ATF4LMNASMN1; SMN2HPGDMAPK1
SCHEMBL2978761 0.86 ATF4 (0.65) ATF4LMNAKMT2AMEN1ALDH1A1
SCHEMBL2987316 0.85 POLB (0.50) ATF4LMNASMN1; SMN2HPGDMAPK1
SCHEMBL2974336 0.84 MEN1 (0.46) HPGDKMT2AMEN1ALDH1A1
SCHEMBL2977860 0.84 ATF4 (0.60) ATF4LMNASMN1; SMN2HPGDKMT2A
SCHEMBL2981298 0.83 ATF4 (0.56) ATF4LMNASMN1; SMN2HPGDKMT2A
SCHEMBL16143777 0.82 MAPT (0.44) LMNAHPGDKMT2ARAB9AALDH1A1

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
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US claimed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 US claimed
US-7786328-B2 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2010-08-31 US disclosed
US-20070281954-A1 Cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-12-06 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-20070281954-A1 Cyclohexyl-1,4-diamine compounds DPYD, PKD1, AOC1 ATF4 1845/4885LMNA 1459/4885SMN1; SMN2 895/4885

“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.