SCHEMBL6414679

SCHEMBL6414679

CC(C)C(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.40
TSHR P16473 3/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC11 Q96DB2 3/20 0.34
CACNA2D1 P54289 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
HSD11B1 P28845 1/20 0.33

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 SCHEMBL6410475 0.99 CCR5 (0.39) CCR5TSHRTP53POLBAPEX1
SCHEMBL5249978 0.91 CCR5 (0.40) CCR5TSHRHDAC11CACNA2D1CTSB
SCHEMBL6409816 0.90 CCR5 (0.39) CCR5TSHRTP53L3MBTL1CACNA2D1
SCHEMBL6410498 0.90 CCR5 (0.39) CCR5TSHRTP53L3MBTL1CACNA2D1
SCHEMBL6408900 0.90 CCR5 (0.38) CCR5TSHRHDAC11CACNA2D1OPRM1
Hydrochloric Acid SCHEMBL6412431 0.90 CCR5 (0.38) CCR5TSHRTP53L3MBTL1CACNA2D1
SCHEMBL6418723 0.90 CCR5 (0.38) CCR5TSHRTP53POLBAPEX1
Hydrochloric Acid SCHEMBL6416623 0.90 CCR5 (0.38) CCR5TSHRTP53L3MBTL1CACNA2D1
Hydrochloric Acid SCHEMBL6408897 0.89 CCR5 (0.38) CCR5TSHRHDAC11CACNA2D1OPRM1
Hydrochloric Acid SCHEMBL6410891 0.89 CCR5 (0.38) CCR5TSHRTP53POLBAPEX1

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 4/4885TSHR 465/4885TP53 2687/4885

“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.