SCHEMBL2987178

SCHEMBL2987178

CN(C)C1(Cc2cccc(Cl)c2)CCC(NC(=O)COc2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 4/20 0.58
GAA P10253 1/20 0.47
ALOX12 P18054 1/20 0.47
EPHX2 P34913 1/20 0.47
MCHR1 Q99705 6/20 0.47
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2983707 0.94 POLB (0.53) ATF4EPHX2MCHR1LMNASMN1; SMN2
SCHEMBL2987366 0.93 MCHR1 (0.54) ATF4EPHX2MCHR1SMN1; SMN2POLB
SCHEMBL2981298 0.92 ATF4 (0.56) ATF4MCHR1HPGDLMNASMN1; SMN2
SCHEMBL2972810 0.92 ATF4 (0.55) ATF4MCHR1HPGDLMNASMN1; SMN2
SCHEMBL2987483 0.91 ATF4 (0.61) ATF4MCHR1HPGDLMNASMN1; SMN2
SCHEMBL2978761 0.90 ATF4 (0.65) ATF4LMNAPOLBKMT2A
SCHEMBL2978691 0.88 MCHR1 (0.51) MCHR1SMN1; SMN2POLB
SCHEMBL2982908 0.87 MCHR1 (0.50) ATF4MCHR1LMNASMN1; SMN2POLB
SCHEMBL2977860 0.86 ATF4 (0.60) ATF4HPGDLMNASMN1; SMN2POLB
SCHEMBL2987025 0.84 SIGMAR1 (0.47) EPHX2MCHR1HPGD

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 1845/4885GAA 18/4885ALOX12 2196/4885

“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.