SCHEMBL6410602

SCHEMBL6410602

O=C(CC1CC1)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 12/20 0.44
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
PRCP P42785 1/20 0.36
MCHR1 Q99705 1/20 0.36
CXCR3 P49682 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 SCHEMBL6414464 0.99 CCR5 (0.43) CCR5SLC6A4SLC6A3SIGMAR1LMNA
SCHEMBL6409448 0.97 SLC6A4 (0.42) CCR5SLC6A4SLC6A3SIGMAR1LMNA
Hydrochloric Acid SCHEMBL6414819 0.96 SLC6A4 (0.41) CCR5SLC6A4SLC6A3SIGMAR1UTS2R
SCHEMBL6416644 0.96 SLC6A4 (0.41) CCR5SLC6A4SLC6A3SIGMAR1UTS2R
Hydrochloric Acid SCHEMBL6408594 0.95 SLC6A4 (0.41) CCR5SLC6A4SLC6A3SIGMAR1UTS2R
SCHEMBL6408887 0.89 CCR5 (0.51) CCR5SLC6A4SLC6A3SIGMAR1LMNA
SCHEMBL6409316 0.89 SIGMAR1 (0.44) CCR5SIGMAR1LMNANPSR1UTS2R
SCHEMBL6410726 0.89 CCR5 (0.45) CCR5SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6416381 0.89 CCR5 (0.50) CCR5SLC6A4SLC6A3SIGMAR1LMNA
Hydrochloric Acid SCHEMBL6408844 0.89 CCR5 (0.50) CCR5SLC6A4SLC6A3SIGMAR1LMNA

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 CCR5 4/4885SLC6A4 1751/4885SLC6A3 1200/4885

“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.