SCHEMBL2448822

SCHEMBL2448822

O=C1N(CC2CCCCC2)C(=O)C2(CCN(CCOCc3ccccc3)CC2)N1CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.46
OPRM1 P35372 8/20 0.46
OPRK1 P41145 6/20 0.46
CCR5 P51681 4/20 0.42
LTA4H P09960 1/20 0.42
CCR3 P51677 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
OPRD1 P41143 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL3506621 0.87 OPRL1 (0.53) OPRL1OPRM1OPRK1CCR5CCR3
SCHEMBL2450074 0.87 CCR5 (0.51) OPRL1OPRM1OPRK1CCR5
SCHEMBL2450324 0.85 LTA4H (0.44) OPRM1LTA4HKCNH2SIGMAR1
SCHEMBL2453225 0.85 CCR5 (0.48) OPRL1OPRM1OPRK1CCR5CCR3
SCHEMBL3509351 0.83 CCR5 (0.58) OPRL1OPRM1OPRK1CCR5
SCHEMBL3505476 0.82 LTA4H (0.41) OPRM1CCR5LTA4HKCNH2SIGMAR1
SCHEMBL2452290 0.78 OPRL1 (0.45) OPRL1OPRM1OPRK1CCR5
SCHEMBL2449653 0.78 LTA4H (0.47) OPRL1OPRM1OPRK1LTA4HHRH3
Hydrochloric Acid SCHEMBL2452777 0.78 OPRL1 (0.44) OPRL1OPRM1OPRK1CCR5
SCHEMBL2455582 0.78 HRH3 (0.48) OPRL1OPRM1OPRK1CCR5HRH3

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 OPRL1 390/4885OPRM1 436/4885OPRK1 282/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 OPRL1 390/4885OPRM1 436/4885OPRK1 282/4885

“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.