SCHEMBL6408469

SCHEMBL6408469

COc1ccccc1C(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.41
CACNA1G O43497 5/20 0.36
KCNH2 Q12809 3/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
CTSB P07858 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CACNA1B Q00975 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.34
NPFFR2 Q9Y5X5 1/20 0.34
HDAC11 Q96DB2 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
SCHEMBL6411281 0.93 DRD2 (0.42) DRD2CTSSCTSKCTSB
SCHEMBL6410581 0.93 HDAC11 (0.37) DRD2CACNA1GKCNH2CTSSCTSK
Hydrochloric Acid SCHEMBL6410577 0.92 HDAC11 (0.36) DRD2CACNA1GKCNH2CTSSCTSK
SCHEMBL6417456 0.91 CTSS (0.37) DRD2CTSSCTSKCTSBHDAC1
SCHEMBL5249697 0.90 DRD2 (0.40) DRD2CTSSCTSKCTSBDRD3
SCHEMBL6408368 0.90 CXCR3 (0.36) HDAC11
SCHEMBL6411505 0.90 CTSS (0.39) DRD2CTSSCTSKCTSBHDAC1
Hydrochloric Acid SCHEMBL6408367 0.89 CXCR3 (0.36) HDAC11
SCHEMBL6409182 0.88 HPGD (0.35) DRD2CACNA1GCTSSCTSK
SCHEMBL6408718 0.88 ROCK2 (0.42) DRD2CACNA1GDRD4DRD3HDAC11

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 DRD2 1775/4885CACNA1G 2415/4885KCNH2 3076/4885

“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.