SCHEMBL6088191

SCHEMBL6088191

CCN1C(=O)NC(=O)C12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
CCR5 P51681 2/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
JAK1 P23458 3/20 0.39
JAK2 O60674 2/20 0.39
NPC1L1 Q9UHC9 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
HPGD P15428 1/20 0.36
TACR1 P25103 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL2449593 0.87 CCR5 (0.43) DDB1CRBNCCR5USP2SMN1; SMN2
SCHEMBL17141012 0.85 DDB1 (0.46) DDB1CRBNCCR5USP2SMN1; SMN2
SCHEMBL6087981 0.80 USP2 (0.40) DDB1CRBNCCR5USP2SMN1; SMN2
SCHEMBL29788253 0.79 USP2 (0.44) DDB1CRBNCCR5USP2SMN1; SMN2
SCHEMBL4137608 0.79 USP2 (0.39) DDB1CRBNCCR5USP2SMN1; SMN2
SCHEMBL8893424 0.74 CCR5 (0.51) DDB1CRBNCCR5USP2SMN1; SMN2
SCHEMBL17149526 0.74 CCR5 (0.53) CCR5USP2KDM4ENPC1L1ALOX15
SCHEMBL31283197 0.74 DDB1 (0.45) DDB1CRBNCCR5USP2SMN1; SMN2
SCHEMBL27152573 0.74 CCR5 (0.53) DDB1CRBNCCR5USP2SMN1; SMN2
SCHEMBL660313 0.74 GPR119 (0.52) DDB1CRBNCCR5SMN1; SMN2KDM4E

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-7115601-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-03 US disclosed
US-20050261322-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-11-24 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-20050261322-A1 HIV integrase inhibitors TYMP, PAICS, TYMS DDB1 776/4885CRBN 4140/4885CCR5 52/4885

“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.