SCHEMBL2989160

SCHEMBL2989160

CC(=O)OC(C)(C)C(=O)NC1CCC(Cc2ccccc2)(N(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.43
OPRL1 P41146 6/20 0.43
OPRK1 P41145 1/20 0.40
SSTR4 P31391 6/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SSTR1 P30872 4/20 0.36
EPHX1 P07099 1/20 0.36
HPGD P15428 1/20 0.36
EPHX2 P34913 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL2982776 0.90 AQP3 (0.39) OPRM1OPRL1SSTR4KMT2AL3MBTL1
SCHEMBL2987072 0.89 SSTR4 (0.41) SSTR4KMT2AL3MBTL1GAASSTR1
SCHEMBL2983449 0.89 SSTR4 (0.44) OPRM1OPRL1SSTR4KMT2ASSTR1
SCHEMBL2985320 0.88 SSTR4 (0.43) OPRL1SSTR4KMT2AALDH1A1MAOB
SCHEMBL2987254 0.85 SSTR4 (0.41) SSTR4KMT2AALDH1A1GAASSTR1
SCHEMBL2985178 0.80 SSTR4 (0.39) OPRM1OPRL1SSTR4KMT2AL3MBTL1
SCHEMBL2991421 0.78 OPRM1 (0.47) OPRM1OPRL1OPRK1KMT2AALDH1A1
SCHEMBL4072703 0.78 OPRM1 (0.40) OPRM1OPRL1KMT2AL3MBTL1ALDH1A1
SCHEMBL2976479 0.77 OPRM1 (0.52) OPRM1OPRL1OPRK1KMT2AL3MBTL1
SCHEMBL206079 0.76 OPRM1 (0.54) OPRM1OPRL1OPRK1EPHX1EPHX2

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 OPRM1 1483/4885OPRL1 1292/4885OPRK1 376/4885

“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.