SCHEMBL6409448

SCHEMBL6409448

O=C(CC1CCCC1)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CCR5 P51681 14/20 0.41
UTS2R Q9UKP6 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 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 SCHEMBL6414819 0.99 SLC6A4 (0.41) SLC6A4SLC6A3CCR5UTS2RSIGMAR1
SCHEMBL6416644 0.99 SLC6A4 (0.41) SLC6A4SLC6A3CCR5UTS2RSIGMAR1
Hydrochloric Acid SCHEMBL6408594 0.98 SLC6A4 (0.41) SLC6A4SLC6A3CCR5UTS2RSIGMAR1
SCHEMBL6410602 0.97 CCR5 (0.44) SLC6A4SLC6A3CCR5UTS2RSIGMAR1
Hydrochloric Acid SCHEMBL6414464 0.96 CCR5 (0.43) SLC6A4SLC6A3CCR5UTS2RSIGMAR1
SCHEMBL6414955 0.90 CCR5 (0.51) SLC6A4SLC6A3CCR5SIGMAR1KMT2A
SCHEMBL6414928 0.89 CCR2 (0.47) CCR5
SCHEMBL6410269 0.89 CCR5 (0.51) SLC6A4SLC6A3CCR5KMT2A
Hydrochloric Acid SCHEMBL6409247 0.89 CCR5 (0.51) SLC6A4SLC6A3CCR5SIGMAR1KMT2A
Hydrochloric Acid SCHEMBL5252103 0.88 CCR5 (0.50) SLC6A4SLC6A3CCR5KMT2A

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.