SCHEMBL2452352

SCHEMBL2452352

CCCN1CC2(CCNCC2)Oc2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.44
KCNH2 Q12809 14/20 0.44
CYP2D6 P10635 10/20 0.44
OPRK1 P41145 2/20 0.37
OPRM1 P35372 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ATM Q13315 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
SCHEMBL3505519 0.86 SIGMAR1 (0.42) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL2452252 0.85 OPRD1 (0.39) OPRD1KCNH2CYP2D6
SCHEMBL2446498 0.83 SIGMAR1 (0.49) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL2451921 0.81 ADRA1D (0.44) KCNH2OPRM1SIGMAR1ADRA1DADRA1A
SCHEMBL3509723 0.79 OPRD1 (0.39) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL3224637 0.76 HTR2A (0.35)
SCHEMBL3506534 0.75 KMT2A (0.47) SIGMAR1
Hydrochloric Acid SCHEMBL3222393 0.74 HTR2A (0.34) SIGMAR1
SCHEMBL2452349 0.74 SIGMAR1 (0.52) KCNH2CYP2D6OPRM1SIGMAR1
SCHEMBL12410068 0.73 NISCH (0.41)

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.