SCHEMBL6409505

SCHEMBL6409505

O=C(C(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR2B P41595 1/20 0.46
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RIPK1 Q13546 2/20 0.39
CCR5 P51681 1/20 0.38
HSD11B1 P28845 1/20 0.38
FPR2 P25090 2/20 0.38
CHRM1 P11229 3/20 0.38
MME P08473 1/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CXCR3 P49682 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
NPC1 O15118 1/20 0.37

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 SCHEMBL6411483 0.99 LMNA (0.46) LMNANPSR1HTR1AHTR1DHTR2B
SCHEMBL5410651 0.89 LMNA (0.43) LMNANPSR1KMT2AMEN1RIPK1
SCHEMBL6410259 0.88 HTR2B (0.53) LMNAHTR1AHTR1DHTR2BCCR5
SCHEMBL6409590 0.88 LMNA (0.42) LMNANPSR1RIPK1CCR5HSD11B1
SCHEMBL6411432 0.88 CCR2 (0.50) LMNAHTR1AHTR1DHTR2BCCR5
Hydrochloric Acid SCHEMBL6411467 0.88 HTR2B (0.52) LMNAHTR1AHTR1DHTR2BCCR5
Hydrochloric Acid SCHEMBL6415620 0.87 CCR2 (0.49) LMNAHTR1AHTR1DHTR2BCCR5
Hydrochloric Acid SCHEMBL6409168 0.87 LMNA (0.41) LMNANPSR1RIPK1CCR5HSD11B1
SCHEMBL6415519 0.85 CTSB (0.39) LMNANPSR1RIPK1CCR5HSD11B1
SCHEMBL6409366 0.85 HSD11B1 (0.40) LMNANPSR1HTR1AHTR1DHTR2B

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 48/4885HTR1A 1039/4885

“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.