SCHEMBL2972824

SCHEMBL2972824

CN(C)C1(CCc2ccccc2)CCC(NC(=O)COc2ccc(Cl)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 3/20 0.59
ALDH1A1 P00352 3/20 0.52
POLB P06746 2/20 0.52
ADAMTS5 Q9UNA0 3/20 0.49
ADAMTS4 O75173 2/20 0.49
USP2 O75604 1/20 0.48
ADIPOR2 Q86V24 1/20 0.48
ADIPOR1 Q96A54 1/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
FAAH O00519 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
MCHR1 Q99705 1/20 0.46

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
SCHEMBL2987483 0.90 ATF4 (0.61) ATF4ALDH1A1POLBUSP2ADIPOR2
SCHEMBL2976726 0.89 MCHR1 (0.54) POLBSMN1; SMN2MCHR1
SCHEMBL5159218 0.88 ATF4 (0.46) ATF4ALDH1A1POLBADAMTS5ADAMTS4
SCHEMBL2978761 0.84 ATF4 (0.65) ATF4ALDH1A1POLBLMNAKMT2A
SCHEMBL2987178 0.83 ATF4 (0.58) ATF4POLBLMNASMN1; SMN2KMT2A
SCHEMBL5162540 0.83 MCHR1 (0.46) POLBMCHR1
SCHEMBL2985870 0.82 ATF4 (0.59) ATF4ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL2981366 0.82 EPHX2 (0.50) KMT2AMEN1
SCHEMBL2981298 0.82 ATF4 (0.56) ATF4ALDH1A1POLBLMNASMN1; SMN2
SCHEMBL2983707 0.81 POLB (0.53) ATF4POLBUSP2ADIPOR2ADIPOR1

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 1845/4885ALDH1A1 207/4885POLB 1844/4885

“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.