SCHEMBL6415581

SCHEMBL6415581

CCC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.39
CCR5 P51681 15/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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 SCHEMBL6408819 0.99 CCR2 (0.38) CCR2CCR5TSHRMEN1USP2
SCHEMBL6414663 0.92 CCR5 (0.37) CCR2CCR5
Hydrochloric Acid SCHEMBL6409405 0.91 CCR5 (0.37) CCR2CCR5
SCHEMBL6410538 0.91 CCR5 (0.37) CCR2CCR5MEN1KMT2AOPRM1
SCHEMBL6418723 0.91 CCR5 (0.38) CCR2CCR5TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL6410534 0.90 CCR5 (0.36) CCR2CCR5MEN1KMT2AOPRM1
Hydrochloric Acid SCHEMBL6410891 0.90 CCR5 (0.38) CCR2CCR5TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL6415796 0.89 CCR5 (0.38) CCR2CCR5
SCHEMBL6415470 0.88 OPRM1 (0.39) CCR5TSHROPRM1OPRL1
SCHEMBL6414989 0.88 CCR5 (0.35) CCR2CCR5

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 CCR2 5/4885CCR5 4/4885TSHR 465/4885

“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.