SCHEMBL6409308

SCHEMBL6409308

CC(C)(C)OC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.42
UTS2R Q9UKP6 4/20 0.39
WDR91 A4D1P6 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
AKT1 P31749 6/20 0.36
GAA P10253 1/20 0.36
ROCK2 O75116 2/20 0.36
AKT2 P31751 2/20 0.36
KCNH2 Q12809 2/20 0.36
AKT3 Q9Y243 2/20 0.36
P2RY2 P41231 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 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
SCHEMBL6411505 0.93 CTSS (0.39) DRD2UTS2RCTSSCTSK
SCHEMBL6410157 0.92 CACNA1G (0.42) CTSSCTSKPPARGPPARA
SCHEMBL6409321 0.91 UTS2R (0.42) DRD2UTS2RWDR91
SCHEMBL6412682 0.91 DRD2 (0.37) DRD2CTSSCTSKROCK2
SCHEMBL6408481 0.90 DRD2 (0.41) DRD2UTS2RWDR91AKT1
SCHEMBL6409182 0.88 HPGD (0.35) DRD2UTS2RCTSSCTSK
SCHEMBL6417456 0.88 CTSS (0.37) DRD2CTSSCTSK
SCHEMBL6408359 0.87 ALDH1A1 (0.41) DRD2UTS2RGAAPPARGPPARA
SCHEMBL6408718 0.87 ROCK2 (0.42) DRD2ROCK2
SCHEMBL6408469 0.85 DRD2 (0.41) DRD2CTSSCTSKKCNH2

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 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 DRD2 1775/4885UTS2R 126/4885WDR91 910/4885

“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.