SCHEMBL3588544

SCHEMBL3588544

COc1cc(C(=O)NC(C(=O)O)C(C)C)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC5A7 Q9GZV3 1/20 0.35
PPARG P37231 1/20 0.34
BCHE P06276 1/20 0.34
ALOX5 P09917 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 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
SCHEMBL3587758 1.00 CCR5 (0.37) CCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL3588547 1.00 CCR5 (0.37) CCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL3587745 1.00 CCR5 (0.37) CCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL16327051 0.93 BACE1 (0.37) CCR5KMT2APOLBMEN1CYP3A4
SCHEMBL3587526 0.90 CCR5 (0.39) CCR5KMT2APOLBMEN1
SCHEMBL3598390 0.89 PDE4A (0.41) CCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL3594810 0.89 MEN1 (0.39) CCR5KMT2APOLBMEN1ACHE
SCHEMBL3593561 0.87 CCR5 (0.37) CCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL3592312 0.87 MAPT (0.37) CCR5KMT2APOLBMEN1BCHE
SCHEMBL3597906 0.87 CCR5 (0.37) CCR5KMT2APOLBMEN1

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 CCR5 958/4885PDE4A 2378/4885PDE4B 1999/4885

“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.