SCHEMBL2989369

SCHEMBL2989369

Cc1ccccc1CC1(N(C)C)CCC(NC(=O)C(C)(C)Oc2ccccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.46
HSD11B2 P80365 4/20 0.46
SSTR4 P31391 10/20 0.45
SSTR1 P30872 7/20 0.45
GHSR Q92847 1/20 0.37
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2984736 0.93 HSD11B1 (0.48) HSD11B1HSD11B2SSTR4SSTR1CNR1
SCHEMBL2985243 0.85 HSD11B1 (0.46) HSD11B1HSD11B2SSTR4SSTR1CNR1
SCHEMBL2983482 0.81 HSD11B1 (0.40) HSD11B1HSD11B2SSTR4SSTR1
SCHEMBL2987254 0.81 SSTR4 (0.41) HSD11B1HSD11B2SSTR4SSTR1ALDH1A1
SCHEMBL2983411 0.79 HSD11B1 (0.42) HSD11B1HSD11B2SSTR4SSTR1CNR1
SCHEMBL4863362 0.77 PPARA (0.53) HSD11B1HSD11B2ALDH1A1MAPTHTT
SCHEMBL2974336 0.74 MEN1 (0.46) ALDH1A1NPSR1
SCHEMBL2976744 0.73 KDM4E (0.45) ALDH1A1MAPTHTTNPSR1
SCHEMBL2989096 0.73 ATF4 (0.58) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4870410 0.73 PPARA (0.53) HSD11B1HSD11B2CNR1ALDH1A1MAPT

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 HSD11B1 829/4885HSD11B2 652/4885SSTR4 1326/4885

“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.