SCHEMBL5010708

SCHEMBL5010708

CC(C)N(Cc1ccccc1N)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.35
FDPS P14324 1/20 0.35
AKT1 P31749 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
MMP13 P45452 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
SCHEMBL7211228 0.81 FDPS (0.37) AAK1TSHRKDM4EFDPSAKT1
SCHEMBL25852154 0.81 KMT2A (0.59) MEN1KMT2AAKT1ALDH1A1SMN1; SMN2
SCHEMBL2061803 0.81 SLC6A4 (0.43) AAK1MEN1KMT2AFDPSAKT1
SCHEMBL5002556 0.81 L3MBTL1 (0.40) AAK1TSHRMEN1KMT2AKDM4E
SCHEMBL30278336 0.80 NPY5R (0.41) AAK1
SCHEMBL5002591 0.79
SCHEMBL3143341 0.78 MEN1 (0.42) AAK1MEN1KMT2AAKT1ALDH1A1
SCHEMBL27612638 0.78 CETP (0.41) AAK1TSHRMEN1KMT2AKDM4E
SCHEMBL28520847 0.76 L3MBTL1 (0.38) KDM4EFDPSAKT1ALDH1A1HPGD
SCHEMBL8605151 0.76 HDAC3 (0.40) KDM4EFDPSAKT1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459561-B2 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2008-12-02 US disclosed
US-7459561-B2 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2008-12-02 US disclosed
US-7189858-B2 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2007-03-13 US disclosed
US-7189858-B2 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2007-03-13 US disclosed
US-20070027322-A1 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2007-02-01 US disclosed
US-20070027322-A1 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2007-02-01 US disclosed
US-7151182-B2 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2006-12-19 US disclosed
EP-1280795-B1 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2005-03-23 EP disclosed
US-20050038075-A1 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2005-02-17 US disclosed
US-20050038038-A1 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2005-02-17 US disclosed
US-6812238-B1 WATER SOLUBLE FUNGICIDES FOR SYSTEMIC MYCOSES; ORAL AND PARENTERAL ADMINISTRATION BASILEA PHARMACEUTICA AG (CH) 2004-11-02 US disclosed
US-6812238-B1 WATER SOLUBLE FUNGICIDES FOR SYSTEMIC MYCOSES; ORAL AND PARENTERAL ADMINISTRATION BASILEA PHARMACEUTICA AG (CH) 2004-11-02 US disclosed
EP-1280795-A2 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES Basilea Pharmaceutica AG (CH) 2003-02-05 EP disclosed
WO-2001032652-A2 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 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 (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-20070027322-A1 N-substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, NAALAD2 AAK1 2946/4885TSHR 4298/4885MEN1 458/4885
US-20050038038-A1 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, NAALAD2 AAK1 2830/4885TSHR 4418/4885MEN1 692/4885
US-20050038075-A1 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, CPS1 AAK1 2701/4885TSHR 4522/4885MEN1 734/4885

“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.