SCHEMBL2452525

SCHEMBL2452525

CCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(CCOCc1ccccc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.48
HTR7 P34969 6/20 0.48
HTR6 P50406 6/20 0.48
CCR5 P51681 10/20 0.44
MCHR1 Q99705 2/20 0.43
LTA4H P09960 1/20 0.42
CXCR4 P61073 2/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL2449653 0.90 LTA4H (0.47) HTR1AHTR7HTR6MCHR1LTA4H
SCHEMBL2450324 0.89 LTA4H (0.44) HTR1AHTR7HTR6MCHR1LTA4H
SCHEMBL3507285 0.87 HTR1A (0.52) HTR1AHTR7HTR6CCR5MCHR1
SCHEMBL2447782 0.86 HTR1A (0.49) HTR1AHTR7HTR6CCR5MCHR1
SCHEMBL2451918 0.82 CCR5 (0.50) HTR1AHTR7HTR6CCR5MCHR1
SCHEMBL12581221 0.81 CXCR3 (0.42) HTR1AHTR7HTR6CCR5MCHR1
SCHEMBL3507206 0.81 MCHR1 (0.48) HTR1AHTR7HTR6CCR5MCHR1
SCHEMBL2449343 0.80 HTR1A (0.50) HTR1AHTR7HTR6CCR5MCHR1
SCHEMBL12581219 0.80 SIGMAR1 (0.52) HTR1AHTR7HTR6MCHR1CYP3A4
SCHEMBL2451505 0.80 HTR1A (0.46) HTR1AHTR7HTR6CCR5MCHR1

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 HTR1A 2467/4885HTR7 2589/4885HTR6 2806/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 HTR1A 2467/4885HTR7 2589/4885HTR6 2806/4885

“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.