SCHEMBL2452349

SCHEMBL2452349

CCCCN1CCC2(CC1)CN(CCc1ccccc1)C(=O)c1ccccc1O2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.52
OPRM1 P35372 13/20 0.52
KCNH2 Q12809 6/20 0.52
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
DRD1 P21728 1/20 0.47
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2449451 0.87 SIGMAR1 (0.52) SIGMAR1OPRM1KCNH2DRD2HTR2A
SCHEMBL2451921 0.86 ADRA1D (0.44) SIGMAR1OPRM1KCNH2
SCHEMBL2452284 0.85 SIGMAR1 (0.55) SIGMAR1OPRM1KCNH2DRD2HTR2A
SCHEMBL2454408 0.84 SIGMAR1 (0.44) SIGMAR1OPRM1KCNH2DRD2HTR2A
SCHEMBL2451492 0.82 SIGMAR1 (0.48) SIGMAR1OPRM1KCNH2DRD2HTR2A
SCHEMBL3505519 0.81 SIGMAR1 (0.42) SIGMAR1OPRM1KCNH2DRD2HTR2A
SCHEMBL2451570 0.80 SIGMAR1 (0.44) SIGMAR1OPRM1KCNH2DRD2HTR2A
SCHEMBL2456325 0.80 SIGMAR1 (0.53) SIGMAR1OPRM1KCNH2DRD2HTR2A
SCHEMBL3506979 0.77 KMT2A (0.45) SIGMAR1OPRM1KCNH2DRD2HTR2A
SCHEMBL18730487 0.77 SIGMAR1 (0.66) SIGMAR1

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 SIGMAR1 225/4885OPRM1 436/4885KCNH2 640/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 SIGMAR1 225/4885OPRM1 436/4885KCNH2 640/4885

“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.