SCHEMBL6411012

SCHEMBL6411012

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.41
CYP3A4 P08684 7/20 0.41
SCN9A Q15858 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
NAMPT P43490 1/20 0.38
CCR5 P51681 1/20 0.37
POLB P06746 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 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
SCHEMBL5417145 0.91 CYP3A4 (0.38) HCRTR2CYP3A4SCN9AROCK2ROCK1
SCHEMBL6409883 0.90 HCRTR2 (0.39) HCRTR2CYP3A4SCN9AALDH1A1CTSB
SCHEMBL5255921 0.90 CCR5 (0.38) HCRTR2CYP3A4ALDH1A1NAMPTCCR5
SCHEMBL6417709 0.88 HCRTR2 (0.44) HCRTR2ROCK2ROCK1ALDH1A1CCR5
SCHEMBL6409337 0.88 HCRTR2 (0.37) HCRTR2CYP3A4ALDH1A1NAMPTCCR5
Hydrochloric Acid SCHEMBL6416439 0.88 HCRTR2 (0.43) HCRTR2ROCK2ROCK1ALDH1A1CCR5
SCHEMBL6412361 0.88 HCRTR2 (0.41) HCRTR2ROCK2ROCK1CCR5POLB
SCHEMBL6409016 0.87 HCRTR2 (0.43) HCRTR2ROCK2ROCK1ALDH1A1CTSB
SCHEMBL6409501 0.87 HCRTR2 (0.43) HCRTR2ROCK2ROCK1ALDH1A1CTSB
SCHEMBL6411505 0.86 CTSS (0.39) SCN9ACTSBCTSSCTSKCCR5

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 2 patents. 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
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US disclosed

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 247/4885CYP3A4 2122/4885SCN9A 1608/4885

“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.