SCHEMBL2449348

SCHEMBL2449348

COc1cc(OC)c(CN2CCC3(CC2)C(=O)NC(=O)N3CCc2ccccc2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.51
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
ABCC1 P33527 1/20 0.43
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KCNH2 Q12809 1/20 0.40
DRD2 P14416 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
CCR5 P51681 2/20 0.40
BRD4 O60885 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL2916042 0.85 SIGMAR1 (0.55) CCR8MEN1KMT2ADRD2SIGMAR1
SCHEMBL2451615 0.85 ALDH1A1 (0.47) CCR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2454412 0.83 MEN1 (0.45) CCR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2446499 0.82 MEN1 (0.44) CCR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2453950 0.81 MEN1 (0.43) CCR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2455037 0.81 CCR8 (0.45) CCR8ALDH1A1MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL2481203 0.80 CCR8 (0.44) CCR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2452571 0.80 MEN1 (0.42) CCR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2448422 0.79 CCR8 (0.42) CCR8ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3506121 0.79 CCR8 (0.42) CCR8ALDH1A1MEN1KMT2AKDM4E

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 11/4885ALDH1A1 214/4885MEN1 2653/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 CCR8 11/4885ALDH1A1 214/4885MEN1 2653/4885

“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.