SCHEMBL6409318

SCHEMBL6409318

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)c4ccccc4OC)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.45
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
TACR2 P21452 1/20 0.40
TACR1 P25103 1/20 0.40
HTR1A P08908 1/20 0.40
DRD3 P35462 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 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 SCHEMBL5252718 0.99 CCR5 (0.45) CCR5MAPTTP53MEN1KMT2A
SCHEMBL6409642 0.93 POLB (0.40) CCR5MAPTTP53MEN1KMT2A
Hydrochloric Acid SCHEMBL6408862 0.92 POLB (0.40) CCR5MAPTTP53MEN1KMT2A
SCHEMBL6409397 0.92 CCR5 (0.47) CCR5MAPTKMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6408752 0.91 CCR5 (0.46) CCR5MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6409264 0.91 CCR2 (0.43) CCR5MAPTMEN1KMT2APOLB
SCHEMBL6418297 0.90 UTS2R (0.49) CCR5KMT2ACYP2D6ROCK2ROCK1
SCHEMBL6409997 0.90 ROCK2 (0.50) CCR5KMT2ACYP2D6ROCK2ROCK1
Hydrochloric Acid SCHEMBL6415190 0.90 CCR2 (0.42) CCR5MEN1KMT2APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL6415576 0.89 UTS2R (0.48) CCR5CYP2D6ROCK2ROCK1UTS2R

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 4/4885MAPT 4525/4885TP53 2687/4885

“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.