SCHEMBL5572222

SCHEMBL5572222

Cc1cccc(CC2(N(C)C)CCC(N)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.41
SSTR1 P30872 1/20 0.41
OPRL1 P41146 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
IDO1 P14902 2/20 0.39
HRH3 Q9Y5N1 3/20 0.39
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 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
SCHEMBL13504043 0.87 HRH3 (0.43) SSTR4SSTR1OPRL1TAAR1OPRM1
SCHEMBL5568893 0.84 TAAR1 (0.43) OPRL1TAAR1OPRM1OPRK1IDO1
SCHEMBL208130 0.84 AOC3 (0.44) SSTR4SSTR1OPRL1TAAR1OPRM1
SCHEMBL13503851 0.83 SSTR4 (0.40) SSTR4SSTR1OPRL1TAAR1OPRM1
SCHEMBL205961 0.83 OPRL1 (0.57) OPRL1OPRM1OPRK1KDM1AMAOA
SCHEMBL5572217 0.82 SSTR4 (0.45) SSTR4SSTR1OPRL1TAAR1OPRM1
SCHEMBL28219677 0.82 MAOA (0.44) SSTR4SSTR1TAAR1IDO1HRH3
SCHEMBL4048459 0.81 OPRL1 (0.41) OPRL1TAAR1OPRM1OPRK1IDO1
Phenethylamine SCHEMBL4085421 0.75 OPRL1 (0.49) OPRL1TAAR1OPRM1OPRK1MAOA
SCHEMBL4076627 0.74 OPRL1 (0.45) OPRL1OPRM1OPRK1HRH3KDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 US claimed
US-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-06-07 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-20070129369-A1 Heteroaryl substituted cyclohexyl-1,4-diamine compounds DDC, DPYD, PKD1 SSTR4 3575/4885SSTR1 3798/4885OPRL1 2457/4885

“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.