SCHEMBL6409337

SCHEMBL6409337

CC(C)(C)OC(=O)NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.37
CCR5 P51681 4/20 0.37
CYP3A4 P08684 6/20 0.37
RECQL P46063 1/20 0.36
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 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
SCHEMBL6411833 0.92 HCRTR2 (0.39) HCRTR2CCR5RECQLALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6411826 0.92 HCRTR2 (0.39) HCRTR2CCR5RECQLALDH1A1KDM4E
SCHEMBL6410514 0.90 MAPT (0.40) HCRTR2CCR5RECQLALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6410509 0.90 MAPT (0.40) HCRTR2CCR5RECQLALDH1A1KDM4E
SCHEMBL6409454 0.88 CCR5 (0.40) HCRTR2CCR5RECQLALDH1A1KDM4E
SCHEMBL6411012 0.88 HCRTR2 (0.41) HCRTR2CCR5CYP3A4NAMPTALDH1A1
SCHEMBL6415531 0.88 HCRTR2 (0.41) HCRTR2CCR5RECQLALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6418551 0.87 CCR5 (0.40) HCRTR2CCR5RECQLALDH1A1KDM4E
SCHEMBL6410431 0.87 CCR5 (0.36) CCR5
Hydrochloric Acid SCHEMBL6409210 0.87 HCRTR2 (0.40) HCRTR2CCR5RECQLALDH1A1KDM4E

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 247/4885CCR5 4/4885CYP3A4 2122/4885

“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.