SCHEMBL2451397

SCHEMBL2451397

CCCCN1C(=O)C(CC(C)C)=CC12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
CNR2 P34972 1/20 0.35
DPP4 P27487 1/20 0.35
GPR119 Q8TDV5 7/20 0.35
ATM Q13315 2/20 0.34
PDE4D Q08499 2/20 0.34
HTT P42858 1/20 0.33
CCR5 P51681 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
USP1 O94782 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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 0.71 CCR5 (0.43) CNR2GPR119CCR5TLR8
SCHEMBL347439 0.68 TLR8 (0.45) CNR2GPR119CCR5TLR8
SCHEMBL4543892 0.65 TLR8 (0.55) CNR2TLR8
SCHEMBL18481419 0.65 USP2 (0.43) CNR2GPR119PDE4DCCR5PDE4A
SCHEMBL597478 0.65 GPR4 (0.46) CNR2DPP4GPR119PDE4DPDE4A
SCHEMBL17861638 0.65 USP2 (0.45) CNR2GPR119PDE4DPDE4APDE4B
SCHEMBL4836593 0.64 GPR4 (0.45) CNR2DPP4GPR119PDE4DPDE4A
SCHEMBL4130653 0.63 CCR5 (0.39) TSHRALOX15ATMCCR5TLR8
Pentane SCHEMBL29277496 0.63 SMN1; SMN2 (0.58) GPR119
SCHEMBL4278207 0.63 USP2 (0.46) TSHRALOX15DPP4ATMHTT

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 TSHR 2601/4885ALOX15 1077/4885CNR2 320/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 TSHR 2601/4885ALOX15 1077/4885CNR2 320/4885

“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.