SCHEMBL4889339

SCHEMBL4889339

CC(=O)OCc1nc2c(N3CCN(C(=O)O)C(C(C)(C)C)C3)cccc2n1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.34
BRD4 O60885 5/20 0.32
CREBBP Q92793 5/20 0.32
ACSS2 Q9NR19 1/20 0.31
CXCR3 P49682 1/20 0.31
GRM2 Q14416 3/20 0.31
ALDH1A1 P00352 2/20 0.31
DRD4 P21917 1/20 0.31
HTR6 P50406 1/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
SLC18A3 Q16572 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5547464 0.85 SLC6A7 (0.34) SLC6A7CXCR3GRM2ALDH1A1DRD4
SCHEMBL4878710 0.78 ACHE (0.42) ALDH1A1MAPT
SCHEMBL6971671 0.73 HTR2A (0.45) SLC6A7ALDH1A1HTR1ASLC6A4MAPT
SCHEMBL5549046 0.72 KDM4E (0.35) SLC6A7GRM2ALDH1A1DRD4HTR1A
SCHEMBL4009517 0.72 POLB (0.43) SLC6A7ALDH1A1HTR1ASLC6A4MAPT
SCHEMBL4558300 0.71 SLC6A9 (0.44) SLC6A7ALDH1A1DRD4HTR6HTR1A
SCHEMBL23037387 0.71 PBRM1 (0.41) SLC6A7BRD4ALDH1A1MAPT
SCHEMBL2327343 0.70 RBP4 (0.37) SLC6A7ALDH1A1NPC1
SCHEMBL4887137 0.70 HTR1A (0.38) BRD4ALDH1A1DRD4HTR6HTR1A
SCHEMBL2760636 0.69 DRD2 (0.51) ALDH1A1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 SLC6A7 1632/4885BRD4 427/4885CREBBP 96/4885

“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.