SCHEMBL6409593

SCHEMBL6409593

CNC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
CCR3 P51677 1/20 0.39
CCR5 P51681 1/20 0.39
CXCR3 P49682 4/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
LTA4H P09960 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
CCR2 P41597 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HDAC11 Q96DB2 1/20 0.35
RIPK1 Q13546 1/20 0.35
CTSB P07858 1/20 0.35

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 SCHEMBL6409172 0.99 HSD11B1 (0.42) HSD11B1CCR3CCR5CXCR3LMNA
SCHEMBL6412023 0.89 CCR5 (0.42) HSD11B1CCR5LMNANPSR1HDAC11
SCHEMBL5252363 0.89 CCR5 (0.42) HSD11B1CCR5LMNANPSR1HDAC11
Hydrochloric Acid SCHEMBL6409551 0.88 CCR5 (0.42) HSD11B1CCR5LMNANPSR1HDAC11
Hydrochloric Acid SCHEMBL6409549 0.88 CCR5 (0.42) HSD11B1CCR5LMNANPSR1HDAC11
SCHEMBL6409656 0.87 CCR5 (0.47) HSD11B1CCR3CCR5CXCR3LMNA
SCHEMBL6409295 0.87 CCR5 (0.44) HSD11B1CCR5CXCR3LMNANPSR1
SCHEMBL6409300 0.87 CCR5 (0.44) HSD11B1CCR5CXCR3LMNANPSR1
SCHEMBL6415563 0.87 HSD11B1 (0.45) HSD11B1CCR3CCR5CXCR3LMNA
Hydrochloric Acid SCHEMBL6415467 0.86 CCR5 (0.46) HSD11B1CCR3CCR5CXCR3LMNA

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 HSD11B1 120/4885CCR3 13/4885CCR5 4/4885

“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.