SCHEMBL4066261

SCHEMBL4066261

CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
RECQL P46063 1/20 0.46
KDM1A O60341 2/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
REN P00797 1/20 0.42
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4066257 1.00 KMT2A (0.46) KMT2AHPGDMEN1RECQLKDM1A
SCHEMBL4066265 1.00 KMT2A (0.46) KMT2AHPGDMEN1RECQLKDM1A
SCHEMBL23153407 0.82 KMT2A (0.53) KMT2AHPGDKDM1AMAOBHDAC4
SCHEMBL765249 0.82 KMT2A (0.53) KMT2AHPGDKDM1AMAOBHDAC4
SCHEMBL28377071 0.82 HDAC4 (0.47) KMT2AKDM1AMAOBHDAC4HDAC6
SCHEMBL4083289 0.82 KMT2A (0.53) KMT2AHPGDKDM1AMAOBHDAC4
SCHEMBL6915186 0.80 GRM5 (0.52) KMT2AKDM1AMAOBHDAC4HDAC6
SCHEMBL15456460 0.80 MAOA (0.62) KMT2AHPGDMEN1RECQLKDM1A
SCHEMBL13276199 0.80 MAOA (0.62) KMT2AHPGDMEN1RECQLKDM1A
SCHEMBL13276465 0.80 MAOA (0.62) KMT2AHPGDMEN1RECQLKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 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 (2 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 KMT2A 4522/4885HPGD 407/4885MEN1 4289/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 KMT2A 4512/4885HPGD 532/4885MEN1 4595/4885

“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.