SCHEMBL6409221

SCHEMBL6409221

O=C1N(Cc2ccc(Br)cc2)CCC12CCN(CCC(c1ccccc1)c1cccc(Cl)c1)CC2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.43
OPRM1 P35372 1/20 0.43
CCR5 P51681 10/20 0.42
HCRTR2 O43614 3/20 0.40
HCRTR1 O43613 2/20 0.40
CCR3 P51677 1/20 0.39
HSD11B1 P28845 1/20 0.39
CCR2 P41597 2/20 0.39

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
SCHEMBL6409656 0.92 CCR5 (0.47) OPRL1OPRM1CCR5HCRTR2HCRTR1
SCHEMBL6411476 0.91 OPRL1 (0.51) OPRL1OPRM1CCR5CCR3HSD11B1
Hydrochloric Acid SCHEMBL6415467 0.91 CCR5 (0.46) OPRL1OPRM1CCR5HCRTR2HCRTR1
SCHEMBL6408506 0.89 HCRTR2 (0.38) OPRL1OPRM1CCR5HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL6410878 0.88 HCRTR2 (0.38) OPRL1OPRM1CCR5HCRTR2HCRTR1
SCHEMBL6408926 0.84 UTS2R (0.49) CCR5
SCHEMBL6409712 0.84 POLB (0.40) CCR5HCRTR2HCRTR1CCR3
Hydrochloric Acid SCHEMBL6415367 0.84 UTS2R (0.48) CCR5
SCHEMBL6409935 0.83 HDAC11 (0.37) CCR5HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL6409854 0.83 POLB (0.39) CCR5HCRTR2HCRTR1CCR3

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 OPRL1 151/4885OPRM1 244/4885CCR5 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.