SCHEMBL6409295

SCHEMBL6409295

CC(C)C(=O)N[C@@H](CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.44
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
HSD11B1 P28845 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
UTS2R Q9UKP6 2/20 0.38
MCHR1 Q99705 1/20 0.38
CXCR3 P49682 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
RIPK1 Q13546 2/20 0.36
PRCP P42785 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6409300 1.00 CCR5 (0.44) CCR5CTSBCTSSCTSKHSD11B1
Hydrochloric Acid SCHEMBL6415352 0.99 CCR5 (0.43) CCR5CTSBCTSSCTSKHSD11B1
Hydrochloric Acid SCHEMBL6415357 0.99 CCR5 (0.43) CCR5CTSBCTSSCTSKHSD11B1
Hydrochloric Acid SCHEMBL6415642 0.93 CCR5 (0.46) CCR5CTSBCTSSCTSKNPSR1
SCHEMBL6410990 0.91 CCR5 (0.40) CCR5CTSBCTSSCTSKHSD11B1
Hydrochloric Acid SCHEMBL6410911 0.91 UTS2R (0.46) CCR5CTSBCTSSCTSKUTS2R
SCHEMBL5252363 0.91 CCR5 (0.42) CCR5CTSBCTSSCTSKHSD11B1
SCHEMBL6412023 0.91 CCR5 (0.42) CCR5CTSBCTSSCTSKHSD11B1
SCHEMBL6410716 0.91 CCR5 (0.38) CCR5CTSBCTSSCTSKROCK2
Hydrochloric Acid SCHEMBL6416361 0.91 CCR5 (0.40) CCR5CTSBCTSSCTSKHSD11B1

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 CCR5 4/4885CTSB 1421/4885CTSS 1424/4885

“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.