SCHEMBL6417709

SCHEMBL6417709

CC(=O)NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.44
POLB P06746 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CCR5 P51681 4/20 0.41
CHRM1 P11229 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
SLC1A2 P43004 1/20 0.40
KDM4E B2RXH2 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 SCHEMBL6416439 0.99 HCRTR2 (0.43) HCRTR2POLBROCK2ROCK1CCR5
SCHEMBL6409016 0.91 HCRTR2 (0.43) HCRTR2ROCK2ROCK1CCR5CHRM1
SCHEMBL6409501 0.91 HCRTR2 (0.43) HCRTR2ROCK2ROCK1CCR5CHRM1
SCHEMBL6417255 0.91 GPR88 (0.45) HCRTR2ROCK2ROCK1CCR5CHRM1
SCHEMBL6409967 0.91 GPR88 (0.45) HCRTR2ROCK2ROCK1CCR5CHRM1
Hydrochloric Acid SCHEMBL6410988 0.91 HCRTR2 (0.42) HCRTR2ROCK2ROCK1CCR5CHRM1
SCHEMBL6409973 0.91 GPR88 (0.45) HCRTR2ROCK2ROCK1CCR5CHRM1
SCHEMBL6410424 0.90 ROCK2 (0.52) HCRTR2ROCK2ROCK1CCR5
SCHEMBL6409327 0.90 HCRTR2 (0.43) HCRTR2ROCK2ROCK1CCR5ALDH1A1
SCHEMBL6412968 0.90 HCRTR2 (0.44) HCRTR2POLBROCK2ROCK1CCR5

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 HCRTR2 247/4885POLB 3564/4885ROCK2 1735/4885

“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.