SCHEMBL6409316

SCHEMBL6409316

O=C(Cc1ccccc1)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
CCR5 P51681 3/20 0.43
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CCR3 P51677 1/20 0.39
UTS2R Q9UKP6 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RIPK1 Q13546 1/20 0.38
MME P08473 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 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 SCHEMBL6413451 0.99 SIGMAR1 (0.43) SIGMAR1CCR5CNR2CNR1LMNA
SCHEMBL6410012 0.93 CCR5 (0.53) SIGMAR1CCR5CNR2LMNAALDH1A1
Hydrochloric Acid SCHEMBL6415132 0.93 CCR5 (0.52) SIGMAR1CCR5CNR2LMNAALDH1A1
SCHEMBL6409712 0.93 POLB (0.40) SIGMAR1CCR5CNR2CNR1ALDH1A1
SCHEMBL6415648 0.93 CCR5 (0.41) SIGMAR1CCR5ALDH1A1POLBCCR3
Hydrochloric Acid SCHEMBL6414857 0.92 CCR5 (0.41) SIGMAR1CCR5ALDH1A1POLBCCR3
Hydrochloric Acid SCHEMBL6409854 0.92 POLB (0.39) SIGMAR1CCR5CNR2CNR1ALDH1A1
SCHEMBL6408517 0.92 SIGMAR1 (0.42) SIGMAR1CCR5CNR2LMNAHPGD
SCHEMBL6416129 0.92 HTT (0.44) SIGMAR1CCR5ALDH1A1HTTUTS2R
SCHEMBL6417591 0.91 SIGMAR1 (0.39) SIGMAR1CCR5LMNAALDH1A1CCR3

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 SIGMAR1 277/4885CCR5 4/4885CNR2 180/4885

“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.