SCHEMBL6412957

SCHEMBL6412957

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)Cc4ccccc4Cl)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.51
CXCR4 P61073 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
UTS2R Q9UKP6 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GHSR Q92847 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KCNH2 Q12809 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 SCHEMBL6413408 0.99 CCR5 (0.50) CCR5CXCR4ALDH1A1SMN1; SMN2UTS2R
SCHEMBL6413008 0.93 CCR5 (0.56) CCR5ALDH1A1UTS2RLMNAMEN1
SCHEMBL6408950 0.92 CCR5 (0.49) CCR5ALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6409470 0.92 CCR5 (0.55) CCR5ALDH1A1UTS2RLMNAMEN1
SCHEMBL6410264 0.92 CCR5 (0.55) CCR5ALDH1A1UTS2RLMNAMEN1
Hydrochloric Acid SCHEMBL6408877 0.91 CCR5 (0.48) CCR5ALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6409167 0.91 CCR5 (0.55) CCR5ALDH1A1UTS2RMEN1KMT2A
SCHEMBL6409255 0.91 CCR5 (0.49) CCR5UTS2RSIGMAR1
SCHEMBL6417591 0.90 SIGMAR1 (0.39) CCR5ALDH1A1UTS2RLMNASIGMAR1
Hydrochloric Acid SCHEMBL6415252 0.90 CCR5 (0.49) CCR5UTS2RSIGMAR1

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 4/4885CXCR4 2/4885ALDH1A1 869/4885

“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.