SCHEMBL2455482

SCHEMBL2455482

O=C1N(Cc2ccccc2)C(=O)C2(CCN(CC3CC3)CC2)N1CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.50
OPRM1 P35372 5/20 0.50
OPRK1 P41145 3/20 0.50
MCHR1 Q99705 2/20 0.45
CCR3 P51677 1/20 0.42
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
EBP Q15125 2/20 0.40
OPRD1 P41143 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2451457 0.91 OPRL1 (0.54) OPRL1OPRM1OPRK1MCHR1EBP
SCHEMBL3506621 0.89 OPRL1 (0.53) OPRL1OPRM1OPRK1CCR3OPRD1
SCHEMBL2451505 0.84 HTR1A (0.46) OPRM1MCHR1ADRA1DADRA1AADRA1B
SCHEMBL2917451 0.83 OPRL1 (0.49) OPRL1OPRM1MCHR1SMN1; SMN2SIGMAR1
SCHEMBL2447782 0.82 HTR1A (0.49) MCHR1ADRA1DADRA1AADRA1BHTR1A
SCHEMBL2450324 0.81 LTA4H (0.44) OPRM1MCHR1ADRA1DADRA1AADRA1B
SCHEMBL2451825 0.81 HTR1A (0.50) MCHR1CCR3ADRA1DADRA1AADRA1B
SCHEMBL2455310 0.81 HTR1A (0.48) OPRM1MCHR1CCR3ADRA1DADRA1A
SCHEMBL2450074 0.79 CCR5 (0.51) OPRL1OPRM1OPRK1
SCHEMBL2451918 0.78 CCR5 (0.50) MCHR1HTR1AHTR7HTR6SIGMAR1

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.