SCHEMBL6412898

SCHEMBL6412898

CC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.54
CCR5 P51681 9/20 0.43
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39

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 SCHEMBL6416377 0.99 CCR2 (0.53) CCR2CCR5OPRM1OPRL1
SCHEMBL6417586 0.92 CCR2 (0.65) CCR2CCR5
Hydrochloric Acid SCHEMBL6409287 0.91 CCR2 (0.64) CCR2CCR5
SCHEMBL6411146 0.89 CCR2 (0.56) CCR2CCR5OPRM1OPRL1
SCHEMBL6415517 0.89 CCR2 (0.56) CCR2CCR5OPRM1OPRL1
Hydrochloric Acid SCHEMBL6410062 0.88 CCR2 (0.55) CCR2CCR5OPRM1OPRL1
Hydrochloric Acid SCHEMBL6410141 0.88 CCR2 (0.55) CCR2CCR5OPRM1OPRL1
Hydrochloric Acid SCHEMBL6408966 0.88 CCR2 (0.55) CCR2CCR5OPRM1OPRL1
Hydrochloric Acid SCHEMBL6413370 0.88 CCR2 (0.55) CCR2CCR5OPRM1OPRL1
SCHEMBL6415563 0.87 HSD11B1 (0.45) CCR5OPRM1

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 4/4885OPRM1 244/4885

“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.