SCHEMBL2449593

SCHEMBL2449593

CCCCN1C(=O)NC(=O)C12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 4/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
TLR8 Q9NR97 1/20 0.37
JAK1 P23458 3/20 0.36
JAK2 O60674 2/20 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
SCHEMBL6088191 0.87 DDB1 (0.44) CCR5DDB1CRBNUSP2SMN1; SMN2
SCHEMBL17141012 0.81 DDB1 (0.46) CCR5DDB1CRBNUSP2SMN1; SMN2
SCHEMBL29788253 0.80 USP2 (0.44) CCR5DDB1CRBNUSP2SMN1; SMN2
SCHEMBL8893424 0.76 CCR5 (0.51) CCR5DDB1CRBNUSP2SMN1; SMN2
SCHEMBL4130653 0.74 CCR5 (0.39) CCR5DDB1CRBNUSP2SMN1; SMN2
SCHEMBL347439 0.74 TLR8 (0.45) CCR5USP2SMN1; SMN2GPR119CNR2
SCHEMBL31283197 0.73 DDB1 (0.45) CCR5DDB1CRBNUSP2SMN1; SMN2
SCHEMBL27152573 0.73 CCR5 (0.53) CCR5DDB1CRBNUSP2SMN1; SMN2
SCHEMBL7013608 0.71 CCR5 (0.38) CCR5DDB1CRBNUSP2SMN1; SMN2
SCHEMBL4543892 0.71 TLR8 (0.55) USP2SMN1; SMN2CNR2TLR8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364982-A1 Spiro-piperidine compounds as chemokine receptor antagonists and medicinal use thereof ONO Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
US-20100261641-A1 SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
US-7498323-B2 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2009-03-03 US disclosed
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-12 US disclosed
EP-1619193-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-25 EP 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 (2 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-20100261641-A1 SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF CCR1, CCR7, CCR3 CCR5 6/4885DDB1 4701/4885CRBN 3954/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 CCR5 6/4885DDB1 4701/4885CRBN 3954/4885

“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.