SCHEMBL6411833

SCHEMBL6411833

COC(=O)NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.39
POLB P06746 2/20 0.39
CCR5 P51681 5/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.36
SLC6A2 P23975 3/20 0.35
CACNA2D1 P54289 3/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Hydrochloric Acid SCHEMBL6411826 0.99 HCRTR2 (0.39) HCRTR2POLBCCR5MAPTKDM4E
SCHEMBL6410514 0.93 MAPT (0.40) HCRTR2POLBCCR5MAPTKDM4E
SCHEMBL6409337 0.92 HCRTR2 (0.37) HCRTR2POLBCCR5MAPTKDM4E
Hydrochloric Acid SCHEMBL6410509 0.92 MAPT (0.40) HCRTR2POLBCCR5MAPTKDM4E
SCHEMBL6409454 0.91 CCR5 (0.40) HCRTR2POLBCCR5MAPTKDM4E
SCHEMBL6415531 0.91 HCRTR2 (0.41) HCRTR2POLBCCR5MAPTKDM4E
Hydrochloric Acid SCHEMBL6418551 0.90 CCR5 (0.40) HCRTR2POLBCCR5MAPTKDM4E
Hydrochloric Acid SCHEMBL6409210 0.90 HCRTR2 (0.40) HCRTR2POLBCCR5MAPTKDM4E
SCHEMBL6408900 0.86 CCR5 (0.38) CCR5CYP2C19SLC6A2CACNA2D1
SCHEMBL6410548 0.86 MMP1 (0.40) CCR5ALDH1A1MAPK1SLC6A2CACNA2D1

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 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 HCRTR2 247/4885POLB 3564/4885CCR5 4/4885

“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.