SCHEMBL2452284

SCHEMBL2452284

O=C1c2ccccc2OC2(CCN(CCCc3ccccc3)CC2)CN1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.55
OPRM1 P35372 6/20 0.52
KCNH2 Q12809 4/20 0.52
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
TACR2 P21452 1/20 0.47
TACR1 P25103 1/20 0.47
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
DRD1 P21728 1/20 0.46
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45

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 0.89 SIGMAR1 (0.52) SIGMAR1OPRM1KCNH2DRD2HTR2A
SCHEMBL2454408 0.86 SIGMAR1 (0.44) SIGMAR1OPRM1KCNH2DRD2HTR2A
SCHEMBL2452349 0.85 SIGMAR1 (0.52) SIGMAR1OPRM1KCNH2DRD2HTR2A
SCHEMBL2451570 0.85 SIGMAR1 (0.44) SIGMAR1OPRM1KCNH2DRD2HTR2A
SCHEMBL2453500 0.81 SIGMAR1 (0.53) SIGMAR1OPRM1KCNH2DRD2TACR2
SCHEMBL2446498 0.80 SIGMAR1 (0.49) SIGMAR1OPRM1KCNH2TACR2TACR1
SCHEMBL2456325 0.79 SIGMAR1 (0.53) SIGMAR1OPRM1KCNH2DRD2HTR2A
SCHEMBL2451492 0.78 SIGMAR1 (0.48) SIGMAR1OPRM1KCNH2DRD2HTR2A
SCHEMBL2451921 0.77 ADRA1D (0.44) SIGMAR1OPRM1KCNH2ADRA1DADRA1A
SCHEMBL3505519 0.76 SIGMAR1 (0.42) SIGMAR1OPRM1KCNH2DRD2HTR2A

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.