SCHEMBL6416644

SCHEMBL6416644

O=C(CC1CCCCC1)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CCR5 P51681 13/20 0.41
UTS2R Q9UKP6 3/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SIGMAR1 Q99720 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
Hydrochloric Acid SCHEMBL6408594 0.99 SLC6A4 (0.41) SLC6A4SLC6A3CCR5UTS2RNPC1
SCHEMBL6409448 0.99 SLC6A4 (0.42) SLC6A4SLC6A3CCR5UTS2RNPC1
Hydrochloric Acid SCHEMBL6414819 0.98 SLC6A4 (0.41) SLC6A4SLC6A3CCR5UTS2RNPC1
SCHEMBL6410602 0.96 CCR5 (0.44) SLC6A4SLC6A3CCR5UTS2RSIGMAR1
Hydrochloric Acid SCHEMBL6414464 0.95 CCR5 (0.43) SLC6A4SLC6A3CCR5UTS2RSIGMAR1
SCHEMBL6410269 0.90 CCR5 (0.51) SLC6A4SLC6A3CCR5
Hydrochloric Acid SCHEMBL5252103 0.89 CCR5 (0.50) SLC6A4SLC6A3CCR5
SCHEMBL6416649 0.89 CCR2 (0.47) CCR5
SCHEMBL6414955 0.89 CCR5 (0.51) SLC6A4SLC6A3CCR5SIGMAR1
SCHEMBL5251436 0.89 CCR5 (0.51) CCR5

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 SLC6A4 1751/4885SLC6A3 1200/4885CCR5 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.