SCHEMBL2455451

SCHEMBL2455451

COc1ccc(CN2CCC3(CC2)CN(C2CCCC2)C(=O)c2ccccc2O3)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.48
CHRM2 P08172 1/20 0.48
SIGMAR1 Q99720 3/20 0.48
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
FFAR1 O14842 1/20 0.43

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
SCHEMBL3507999 0.76 CCR5 (0.44) SIGMAR1
SCHEMBL2451634 0.75 EPHX2 (0.44) SIGMAR1
SCHEMBL2450084 0.74 ALDH1A1 (0.39) HTR2AHTR2CHTR2B
SCHEMBL3506901 0.74 SMN1; SMN2 (0.45) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL9762133 0.72 SCN1A (0.67) CHRM3CHRM2
SCHEMBL2453500 0.70 SIGMAR1 (0.53) SIGMAR1DRD2
SCHEMBL10682054 0.70 SIGMAR1 (0.46) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL12184404 0.68 HSD11B1 (0.54) CHRM3CHRM2
SCHEMBL4270067 0.66 SIGMAR1 (1.00) SIGMAR1DRD2FFAR1
SCHEMBL7238624 0.66 CRBN (0.46) DRD2

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 CHRM3 1541/4885CHRM2 1509/4885SIGMAR1 225/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 CHRM3 1541/4885CHRM2 1509/4885SIGMAR1 225/4885

“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.