SCHEMBL6412914

SCHEMBL6412914

CC(C)(C)OC(=O)N[C@@H](CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.44
CCR5 P51681 15/20 0.41
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6408483 1.00 CCR2 (0.44) CCR2CCR5CTSBCTSSCTSK
SCHEMBL6408481 0.93 DRD2 (0.41) CCR2CCR5CYP1A2CYP3A4CYP2D6
SCHEMBL6415582 0.92 CCR2 (0.47) CCR2CCR5ALDH1A1CYP1A2CYP3A4
SCHEMBL6409151 0.92 CCR5 (0.44) CCR2CCR5
SCHEMBL6409940 0.92 CCR5 (0.42) CCR2CCR5
SCHEMBL6413430 0.92 CCR5 (0.41) CCR5ALDH1A1
Hydrochloric Acid SCHEMBL6409540 0.91 CCR2 (0.46) CCR2CCR5ALDH1A1CYP1A2CYP3A4
SCHEMBL6409363 0.91 CCR2 (0.38) CCR2CCR5CTSBCTSSCTSK
SCHEMBL5249697 0.90 DRD2 (0.40) CCR2CCR5CTSBCTSSCTSK
SCHEMBL6413530 0.90 CCR2 (0.45) CCR2CCR5ALDH1A1CYP1A2CYP3A4

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 2 patents. 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
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US disclosed

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 4/4885CTSB 1421/4885

“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.