Sugi Predict

Sugi Predict / Compounds / SCHEMBL4236679

SCHEMBL4236679

SCHEMBL4236679

O=C(CCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC2(CCc3ccccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.54
▸ SLC18A3 Q16572 2/20 0.54
▸ CACNA1B Q00975 3/20 0.54
▸ CCR2 P41597 1/20 0.50
▸ ADRA1A P35348 3/20 0.47
▸ CACNA1C Q13936 3/20 0.47
▸ CACNA1F O60840 2/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ DRD5 P21918 2/20 0.47
▸ HRH2 P25021 2/20 0.47
▸ ADRA1D P25100 2/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ HTR7 P34969 2/20 0.47
▸ HRH1 P35367 2/20 0.47
▸ ADRA1B P35368 2/20 0.47
▸ OPRM1 P35372 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ OPRD1 P41143 2/20 0.47
▸ OPRK1 P41145 2/20 0.47
▸ HTR6 P50406 2/20 0.47

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
SCHEMBL8243330 0.83 CACNA1B (0.50) SIGMAR1SLC18A3CACNA1BCCR2ADRA1A
SCHEMBL4227749 0.83 CACNA1B (0.50) SIGMAR1SLC18A3CACNA1BCCR2ADRA1A
SCHEMBL9883702 0.79 SIGMAR1 (0.58) SIGMAR1SLC18A3CCR2ADRA1AHTR2A
SCHEMBL3818975 0.79 SIGMAR1 (0.63) SIGMAR1SLC18A3CCR2ADRA1ACACNA1C
SCHEMBL4386075 0.79 CACNA1B (0.66) CACNA1BADRA1ACACNA1CCACNA1FDRD4
SCHEMBL4223179 0.77 CACNA1B (0.53) CACNA1BCCR2ADRA1ACACNA1CCACNA1F
SCHEMBL4228323 0.77 NPY5R (0.52) SIGMAR1CACNA1BADRA1ACACNA1CCACNA1F
SCHEMBL26330800 0.74 CACNA1B (0.52) SIGMAR1CACNA1BADRA1ACACNA1CCACNA1F
SCHEMBL1223501 0.74 RBP4 (0.62) SIGMAR1SLC18A3RBP4ALDH1A1TP53
SCHEMBL4227963 0.72 CACNA1B (0.49) CACNA1BCCR2ADRA1ACACNA1CCACNA1F

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883816-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-11-11 — — US claimed
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2014-02-13 — — US claimed
US-20120309778-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2012-12-06 — — US claimed
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof EURO-CELTIQUE S.A. (LU) 2009-05-07 — — US claimed
US-8883816-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-11-11 — — US disclosed
US-8883816-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-11-11 — — US disclosed
US-8883816-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-11-11 — — US disclosed
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2014-02-13 — — US disclosed
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2014-02-13 — — US disclosed
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2014-02-13 — — US disclosed
US-8546417-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2013-10-01 — — US disclosed
US-8546417-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2013-10-01 — — US disclosed
US-8193208-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-06-05 — — US disclosed
US-8193208-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-06-05 — — US disclosed
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof EURO-CELTIQUE S.A. (LU) 2009-05-07 — — US disclosed
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof EURO-CELTIQUE S.A. (LU) 2009-05-07 — — US disclosed
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof EURO-CELTIQUE S.A. (LU) 2009-05-07 — — US disclosed
EP-1943250-A1 FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-07-16 — — EP disclosed
WO-2007028638-A1 FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2007-03-15 — — WO disclosed
WO-2007028638-A1 FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2007-03-15 — — WO 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 (3 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-20120309778-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C SIGMAR1 220/4885SLC18A3 2064/4885CACNA1B 4/4885
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C SIGMAR1 220/4885SLC18A3 2064/4885CACNA1B 4/4885
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C SIGMAR1 220/4885SLC18A3 2064/4885CACNA1B 4/4885

“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.