SCHEMBL6409366

SCHEMBL6409366

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
CCR5 P51681 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNA3 P22001 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
RIPK1 Q13546 1/20 0.37
MME P08473 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CCR3 P51677 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2B P41595 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 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
SCHEMBL6411240 0.91 ALDH1A1 (0.45) CCR5LMNAHTR2BMMP1MMP9
SCHEMBL5410651 0.89 LMNA (0.43) HSD11B1CCR5LMNANPSR1RIPK1
SCHEMBL6416009 0.88 CCR2 (0.48) CCR5MMP1MMP9MMP13ADAM17
SCHEMBL6409590 0.88 LMNA (0.42) HSD11B1CCR5LMNANPSR1RIPK1
SCHEMBL6415519 0.87 CTSB (0.39) HSD11B1CCR5LMNANPSR1CTSB
Hydrochloric Acid SCHEMBL6409168 0.87 LMNA (0.41) HSD11B1CCR5LMNANPSR1RIPK1
Hydrochloric Acid SCHEMBL6409895 0.86 CTSB (0.39) HSD11B1CCR5LMNANPSR1CTSB
SCHEMBL6411890 0.86 CCR2 (0.44) CCR5LMNANPSR1CTSBCTSS
SCHEMBL6408956 0.86 FAAH (0.44) HSD11B1CCR5LMNANPSR1CTSB
Hydrochloric Acid SCHEMBL6409194 0.85 CCR2 (0.44) CCR5LMNANPSR1CTSBCTSS

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 2 patents. 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
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 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 (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 HSD11B1 120/4885CCR5 4/4885LMNA 3107/4885

“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.