SCHEMBL3218332

SCHEMBL3218332

C=CCCNC1(Cc2ccccc2)CCC(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 3/20 0.33
ADRB2 P07550 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
IDH1 O75874 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
NR3C1 P04150 2/20 0.32

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
SCHEMBL3218244 0.76 OPRM1 (0.44) HTTDPP4MAOAMAOBALDH1A1
Hydrochloric Acid SCHEMBL3216981 0.76 OPRM1 (0.45) HTTDPP4MAOAMAOBALDH1A1
SCHEMBL3570132 0.74 ALDH1A1 (0.40) LMNAL3MBTL1MEN1CYP2C9KMT2A
SCHEMBL1702302 0.69 HTT (0.48) HTTMEN1KMT2AALDH1A1NR3C1
SCHEMBL372916 0.68 MEN1 (0.50) HTTLMNANPSR1L3MBTL1MEN1
SCHEMBL3570296 0.68 CYP2C9 (0.40) HTTLMNANPSR1L3MBTL1MEN1
SCHEMBL3218308 0.67 OPRM1 (0.41) HTTLMNANPSR1L3MBTL1MEN1
SCHEMBL3566012 0.66 SIGMAR1 (0.44) MEN1KMT2AHDAC3KDM4ETAAR1
SCHEMBL11474711 0.65 MEN1 (0.47) HTTLMNANPSR1L3MBTL1MEN1
SCHEMBL14379186 0.65 OPRL1 (0.50) MEN1CYP2C9KMT2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678834-B2 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2010-03-16 US disclosed
EP-1406859-B1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES GRUENENTHAL GMBH (DE) 2008-01-02 EP disclosed
US-20040214822-A1 Substituted 4-aminocyclohexanol compounds GRUENENTHAL GMBH (DE) 2004-10-28 US disclosed
EP-1406859-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2004-04-14 EP disclosed
WO-2003008371-A1 SUBSTITUTED 4-AMINOCYCLOHEXANOL DERIVATIVES Grünenthal GmbH (DE) 2003-01-30 WO 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-20040214822-A1 Substituted 4-aminocyclohexanol compounds ADRA2C, OPRD1, OPRK1 HTT 235/4885LMNA 2179/4885NPSR1 250/4885

“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.