SCHEMBL4066264

SCHEMBL4066264

CC(C)(C)OC(=O)N(Cc1ccccn1)C1CCCCC1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.43
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.37
CYP1A2 P05177 1/20 0.36
HTR2C P28335 3/20 0.36
SLC6A4 P31645 3/20 0.36
GPR119 Q8TDV5 1/20 0.36
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL13909520 0.83 HDAC3 (0.42) TSHRMEN1KMT2AHTR2CSLC6A4
SCHEMBL4065921 0.82 SIGMAR1 (0.44) TSHRRAB9ACYP1A2CYP3A4L3MBTL1
SCHEMBL25104099 0.78 MAPKAPK2 (0.50) TSHRRAB9ACYP1A2SLC6A4
SCHEMBL30929286 0.78 MAPKAPK2 (0.50) TSHRRAB9ACYP1A2SLC6A4
SCHEMBL14129496 0.76 SIGMAR1 (0.43) TSHRRAB9AMEN1KMT2A
SCHEMBL7326927 0.75 CYP1A2 (0.45) TSHRKMT2ACYP1A2POLBL3MBTL1
SCHEMBL13276200 0.74 SMN1; SMN2 (0.45) TSHRRAB9AHPGDKMT2ARECQL
SCHEMBL13276463 0.74 SMN1; SMN2 (0.45) TSHRRAB9AHPGDKMT2ARECQL
SCHEMBL4676290 0.73 HTR2C (0.49) RAB9AMEN1KMT2ACYP1A2HTR2C
SCHEMBL13909543 0.72 HDAC3 (0.40) HTR2CSLC6A4

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 TSHR 730/4885RAB9A 1243/4885HPGD 407/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 TSHR 632/4885RAB9A 1447/4885HPGD 532/4885

“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.