SCHEMBL6409656

SCHEMBL6409656

O=C1N(Cc2ccc(Br)cc2)CCC12CCN(CCC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.47
OPRL1 P41146 3/20 0.46
HSD11B1 P28845 1/20 0.45
OPRM1 P35372 2/20 0.45
CCR2 P41597 4/20 0.44
CCR3 P51677 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KCNA3 P22001 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.40
CXCR3 P49682 2/20 0.40
RIPK1 Q13546 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 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 SCHEMBL6415467 0.99 CCR5 (0.46) CCR5OPRL1HSD11B1OPRM1CCR2
SCHEMBL6411476 0.95 OPRL1 (0.51) CCR5OPRL1HSD11B1OPRM1CCR2
SCHEMBL6409221 0.92 OPRL1 (0.43) CCR5OPRL1HSD11B1OPRM1CCR2
SCHEMBL6415563 0.90 HSD11B1 (0.45) CCR5HSD11B1OPRM1CCR3LMNA
SCHEMBL6411982 0.90 HSD11B1 (0.43) CCR5HSD11B1CCR2CCR3LMNA
SCHEMBL6410484 0.90 IGF1R (0.45) CCR5HSD11B1CCR3LMNANPSR1
Hydrochloric Acid SCHEMBL6416497 0.89 HSD11B1 (0.42) CCR5HSD11B1CCR2CCR3LMNA
Hydrochloric Acid SCHEMBL6409417 0.89 HSD11B1 (0.42) CCR5HSD11B1CCR2CCR3LMNA
Hydrochloric Acid SCHEMBL6409958 0.89 HSD11B1 (0.44) CCR5HSD11B1OPRM1CCR3LMNA
SCHEMBL6412364 0.89 CCR5 (0.39) CCR5OPRL1HSD11B1OPRM1CCR2

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 CCR5 4/4885OPRL1 151/4885HSD11B1 120/4885

“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.