SCHEMBL6417591

SCHEMBL6417591

O=C(Cc1ccccc1Cl)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
CCR5 P51681 6/20 0.39
UTS2R Q9UKP6 3/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HDAC11 Q96DB2 1/20 0.36
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CCR3 P51677 1/20 0.35
HSD11B1 P28845 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 SCHEMBL6411335 0.99 SIGMAR1 (0.39) SIGMAR1CCR5UTS2RLMNANPSR1
SCHEMBL6409316 0.91 SIGMAR1 (0.44) SIGMAR1CCR5UTS2RLMNANPSR1
Hydrochloric Acid SCHEMBL6413451 0.91 SIGMAR1 (0.43) SIGMAR1CCR5UTS2RLMNANPSR1
SCHEMBL6412957 0.90 CCR5 (0.51) SIGMAR1CCR5UTS2RLMNAALDH1A1
SCHEMBL6416129 0.90 HTT (0.44) SIGMAR1CCR5UTS2RALDH1A1
Hydrochloric Acid SCHEMBL6411342 0.90 HTT (0.43) SIGMAR1CCR5UTS2R
Hydrochloric Acid SCHEMBL6413408 0.90 CCR5 (0.50) SIGMAR1CCR5UTS2RLMNAALDH1A1
SCHEMBL6410282 0.89 CCR2 (0.44) CCR5
SCHEMBL6410251 0.89 SIGMAR1 (0.43) SIGMAR1CCR5ALDH1A1CCR3
Hydrochloric Acid SCHEMBL6409468 0.88 SIGMAR1 (0.42) SIGMAR1CCR5ALDH1A1CCR3

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 4/4885UTS2R 126/4885

“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.