SCHEMBL6409566

SCHEMBL6409566

CC(C)CC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
CCR5 P51681 8/20 0.38
HSD11B1 P28845 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
UTS2R Q9UKP6 2/20 0.37
PRCP P42785 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MME P08473 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CXCR3 P49682 1/20 0.36

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
SCHEMBL6409561 1.00 POLB (0.39) POLBCCR5HSD11B1LMNANPSR1
Hydrochloric Acid SCHEMBL6408852 0.99 POLB (0.38) POLBCCR5HSD11B1LMNANPSR1
Hydrochloric Acid SCHEMBL6408860 0.99 POLB (0.38) POLBCCR5HSD11B1LMNANPSR1
SCHEMBL6411438 0.90 CCR5 (0.48) POLBCCR5LMNAMEN1KMT2A
SCHEMBL6409295 0.90 CCR5 (0.44) CCR5HSD11B1LMNANPSR1UTS2R
SCHEMBL6409300 0.90 CCR5 (0.44) CCR5HSD11B1LMNANPSR1UTS2R
SCHEMBL6409316 0.90 SIGMAR1 (0.44) POLBCCR5LMNANPSR1UTS2R
SCHEMBL6412023 0.89 CCR5 (0.42) CCR5HSD11B1LMNANPSR1UTS2R
SCHEMBL5252363 0.89 CCR5 (0.42) CCR5HSD11B1LMNANPSR1UTS2R
Hydrochloric Acid SCHEMBL6413700 0.89 CCR5 (0.47) POLBCCR5LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US claimed

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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 POLB 3564/4885CCR5 4/4885HSD11B1 120/4885

“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.