SCHEMBL2452252

SCHEMBL2452252

CN(C)CCCN1CC2(CCNCC2)Oc2ccccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.39
KCNH2 Q12809 4/20 0.39
CYP2D6 P10635 3/20 0.39
HRH1 P35367 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37
POLB P06746 2/20 0.37
NR1I2 O75469 1/20 0.37
AHR P35869 1/20 0.37
RAD52 P43351 1/20 0.37
RCE1 Q9Y256 1/20 0.37
DRD2 P14416 2/20 0.37
HTR6 P50406 2/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2452352 0.85 OPRD1 (0.44) OPRD1KCNH2CYP2D6
SCHEMBL2454408 0.81 SIGMAR1 (0.44) KCNH2CYP2D6HRH3DRD2HTR2A
SCHEMBL3505519 0.81 SIGMAR1 (0.42) OPRD1KCNH2CYP2D6DRD2HTR2A
SCHEMBL2446498 0.78 SIGMAR1 (0.49) OPRD1KCNH2CYP2D6MEN1ALDH1A1
SCHEMBL2450080 0.77 HRH3 (0.42) HRH3KDM4EMEN1NPC1ALDH1A1
SCHEMBL3509723 0.75 OPRD1 (0.39) OPRD1KCNH2CYP2D6DRD2ALDH1A1
SCHEMBL2451921 0.70 ADRA1D (0.44) KCNH2HRH3
SCHEMBL2450084 0.69 ALDH1A1 (0.39) OPRD1KCNH2CYP2D6HTR2AALDH1A1
SCHEMBL1681562 0.68 HDAC3 (0.55) OPRD1KCNH2CYP2D6ALDH1A1
SCHEMBL2452349 0.67 SIGMAR1 (0.52) KCNH2CYP2D6DRD2HTR2ALMNA

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 OPRD1 127/4885KCNH2 640/4885CYP2D6 778/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 OPRD1 127/4885KCNH2 640/4885CYP2D6 778/4885

“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.