SCHEMBL2449927

SCHEMBL2449927

COc1cccc(CN2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.52
SIGMAR1 Q99720 3/20 0.49
MCHR1 Q99705 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ROCK2 O75116 1/20 0.45
CACNA1F O60840 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRB1 P08588 1/20 0.44
DRD2 P14416 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
ADRA1B P35368 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44

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
SCHEMBL2942975 0.91 SIGMAR1 (0.48) CCR8SIGMAR1MCHR1DRD2OPRM1
SCHEMBL2449271 0.88 KDM4E (0.54) CCR8MCHR1ALDH1A1KDM4EMEN1
SCHEMBL2455037 0.88 CCR8 (0.45) CCR8SIGMAR1MCHR1ALDH1A1KDM4E
SCHEMBL2915758 0.87 CCR8 (0.42) CCR8MCHR1ALDH1A1KDM4EOPRM1
SCHEMBL2913042 0.87 CCR8 (0.42) CCR8MCHR1ALDH1A1KDM4EOPRM1
Hydrochloric Acid SCHEMBL2481203 0.87 CCR8 (0.44) CCR8SIGMAR1MCHR1ALDH1A1KDM4E
SCHEMBL2452541 0.86 CCR8 (0.47) CCR8SIGMAR1MCHR1ADRA1DADRA1A
SCHEMBL3506970 0.84 CACNA1F (0.55) CCR8SIGMAR1ALDH1A1KDM4ECACNA1F
SCHEMBL2915410 0.83 MEN1 (0.45) CCR8ALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL12581177 0.83 SIGMAR1 (0.48) CCR8SIGMAR1MCHR1ALDH1A1KDM4E

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 CCR8 11/4885SIGMAR1 225/4885MCHR1 1882/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 CCR8 11/4885SIGMAR1 225/4885MCHR1 1882/4885

“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.