SCHEMBL6409590

SCHEMBL6409590

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CCR5 P51681 1/20 0.40
HSD11B1 P28845 1/20 0.40
RIPK1 Q13546 2/20 0.39
MME P08473 1/20 0.39
CCR3 P51677 1/20 0.38
CXCR3 P49682 4/20 0.38
EPHX1 P07099 1/20 0.38
NPFFR1 Q9GZQ6 1/20 0.37
NPFFR2 Q9Y5X5 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
OPRL1 P41146 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36

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 SCHEMBL6409168 0.99 LMNA (0.41) LMNANPSR1CCR5HSD11B1RIPK1
SCHEMBL5410651 0.92 LMNA (0.43) LMNANPSR1CCR5HSD11B1RIPK1
SCHEMBL6409366 0.88 HSD11B1 (0.40) LMNANPSR1CCR5HSD11B1RIPK1
SCHEMBL6409505 0.88 LMNA (0.47) LMNANPSR1CCR5HSD11B1RIPK1
SCHEMBL6408956 0.87 FAAH (0.44) LMNANPSR1CCR5HSD11B1RIPK1
Hydrochloric Acid SCHEMBL6411483 0.87 LMNA (0.46) LMNANPSR1CCR5HSD11B1RIPK1
SCHEMBL6411890 0.87 CCR2 (0.44) LMNANPSR1CCR5RIPK1MME
SCHEMBL6409656 0.87 CCR5 (0.47) LMNANPSR1CCR5HSD11B1RIPK1
Hydrochloric Acid SCHEMBL6409194 0.86 CCR2 (0.44) LMNANPSR1CCR5RIPK1MME
Hydrochloric Acid SCHEMBL6415274 0.86 FAAH (0.43) LMNANPSR1CCR5HSD11B1RIPK1

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 LMNA 3107/4885NPSR1 48/4885CCR5 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.