SCHEMBL3216979

SCHEMBL3216979

O=C1CCC(Cc2ccccc2)(N2CCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40
ELANE P08246 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GRIN1 Q05586 5/20 0.38
GRIN2A Q12879 5/20 0.38
GRIN2B Q13224 2/20 0.38
SLC6A3 Q01959 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP2B6 P20813 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
PRCP P42785 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2C Q14957 1/20 0.38

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
SCHEMBL3927554 0.86 THRB (0.40) MEN1KMT2ACYP2C9L3MBTL1ELANE
SCHEMBL735929 0.86 KMT2A (0.43) MEN1KMT2ACYP2C9ELANESIGMAR1
SCHEMBL3409681 0.84 SLC6A3 (0.41) MEN1KMT2ACYP2C9L3MBTL1TSHR
Bromide SCHEMBL10842432 0.81 MAOA (0.44) MEN1KMT2ATSHRMAOAMAOB
SCHEMBL11094660 0.80 MAPT (0.54) MEN1KMT2AL3MBTL1SIGMAR1
Ethylene SCHEMBL11094451 0.78 MAPT (0.52) MEN1KMT2AL3MBTL1SIGMAR1
SCHEMBL4130743 0.76 MAOA (0.41) TSHRMAOAMAOBGRIN1GRIN2A
SCHEMBL4125387 0.75 SIGMAR1 (0.41) TSHRMAOAMAOBGRIN1GRIN2A
SCHEMBL3218429 0.75 POLB (0.40) MEN1KMT2AL3MBTL1TSHRMAOA
SCHEMBL2989331 0.75 SIGMAR1 (0.41) TSHRMAOAMAOBGRIN1GRIN2A

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 MEN1 2907/4885KMT2A 3124/4885CYP2C9 56/4885

“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.