SCHEMBL2983449

SCHEMBL2983449

CC(=O)OC(C)(C)C(=O)NC1CCC(Cc2cccc(C)c2)(N(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.44
SSTR1 P30872 1/20 0.44
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
LMNA P02545 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD4 P21917 2/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
UBE2M P61081 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2985320 0.89 SSTR4 (0.43) SSTR4CHRM2CHRM1CHRM3OPRL1
SCHEMBL2989160 0.89 OPRM1 (0.43) SSTR4SSTR1OPRM1OPRL1KMT2A
SCHEMBL2982776 0.88 AQP3 (0.39) SSTR4SSTR1CHRM2CHRM1CHRM3
SCHEMBL2987072 0.82 SSTR4 (0.41) SSTR4SSTR1LMNAKMT2A
SCHEMBL2989023 0.80 SSTR4 (0.44) SSTR4SSTR1OPRM1OPRL1KMT2A
SCHEMBL2987254 0.79 SSTR4 (0.41) SSTR4SSTR1LMNAMEN1KMT2A
SCHEMBL4871244 0.77 HRH2 (0.41) SSTR4SSTR1RAB9A
SCHEMBL206665 0.77 SSTR4 (0.45) SSTR4SSTR1LMNAOPRM1OPRL1
SCHEMBL2981330 0.76 POLB (0.51) LMNAOPRM1OPRL1MEN1KMT2A
SCHEMBL2987319 0.76 MEN1 (0.47) SSTR4SSTR1OPRM1OPRL1MEN1

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 SSTR4 1326/4885SSTR1 1281/4885CHRM2 2695/4885

“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.