SCHEMBL685360

SCHEMBL685360

CCNC(=O)C1CCC(CC(=O)OCC)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CHRM1 P11229 3/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
TP53 P04637 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
SCHEMBL685364 1.00 KMT2A (0.40) KMT2AMEN1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL20793996 0.85 MEN1 (0.41) KMT2AMEN1GAAMGAMSI
SCHEMBL17873040 0.83 SMYD3 (0.43) KMT2AMEN1GAAMGAMSI
SCHEMBL17873037 0.83 SMYD3 (0.43) KMT2AMEN1GAAMGAMSI
SCHEMBL2721040 0.82
SCHEMBL21706896 0.81 MEN1 (0.41) KMT2AMEN1SMN1; SMN2GAARAB9A
SCHEMBL20780375 0.81 MEN1 (0.41) KMT2AMEN1SMN1; SMN2GAARAB9A
SCHEMBL29913904 0.81 CYP1A2 (0.41) KMT2AMEN1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL28473023 0.80 GAA (0.50) KMT2AMEN1SMN1; SMN2GAAMGAM
SCHEMBL175784 0.80 PLG (0.47) KMT2AMEN1CYP2C9GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841478-B2 Method for preparing trans-{4-[(alkylamino) methyl]- cyclohexyl}acetic acid ester KOWA COMPANY, LTD. (JP) 2014-09-23 US disclosed
US-8841478-B2 Method for preparing trans-{4-[(alkylamino) methyl]- cyclohexyl}acetic acid ester KOWA COMPANY, LTD. (JP) 2014-09-23 US disclosed
US-20110288328-A1 METHOD FOR PREPARING TRANS-ACETIC ACID ESTER KOWA COMPANY, LTD. (JP) 2011-11-24 US disclosed
US-7807701-B2 Dibenzylamine compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2010-10-05 US disclosed
WO-2010061621-A1 METHOD FOR MANUFACTURING TRANS-{4-[(ALKYL AMINO) METHYL] CYCLOHEXYL} ACETIC ESTER 興和株式会社 (JP) 2010-06-03 WO disclosed
US-20080146620-A1 Dibenzylamine Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. (JP) 2008-06-19 US disclosed
US-7332514-B2 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2008-02-19 US disclosed
EP-1829858-A2 Dibenzylamine compounds and pharmaceutical use thereof Japan Tobacco, Inc. (JP) 2007-09-05 EP disclosed
EP-1533292-B1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC (JP) 2007-02-14 EP disclosed
EP-1533292-A1 DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-05-25 EP disclosed
US-20050059810-A1 Dibenzylamine compound and medicinal use thereof JAPAN TOBACCO INC 2005-03-17 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 (3 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-20050059810-A1 Dibenzylamine compound and medicinal use thereof CETP, CES1, APOB KMT2A 971/4885MEN1 1354/4885SMN1; SMN2 4776/4885
US-20080146620-A1 Dibenzylamine Compounds and Pharmaceutical Use Thereof CETP, PCSK9, CES1 KMT2A 1287/4885MEN1 1218/4885SMN1; SMN2 4792/4885
US-20110288328-A1 METHOD FOR PREPARING TRANS-ACETIC ACID ESTER ACSL6, ACSL3, ACSL1 KMT2A 4068/4885MEN1 691/4885SMN1; SMN2 4560/4885

“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.