SCHEMBL4233076

SCHEMBL4233076

COc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.58
MCHR2 Q969V1 7/20 0.57
MCHR1 Q99705 1/20 0.57
FFAR1 O14842 6/20 0.57

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
SCHEMBL7382222 0.85 MCHR2 (0.62) SIGMAR1MCHR2MCHR1FFAR1
SCHEMBL3810405 0.84 FFAR1 (0.67) MCHR2MCHR1FFAR1
SCHEMBL4223160 0.83 SIGMAR1 (0.51) SIGMAR1MCHR2FFAR1
SCHEMBL1586959 0.83 MCHR2 (0.61) SIGMAR1MCHR2MCHR1FFAR1
SCHEMBL4408710 0.83 MCHR2 (0.61) SIGMAR1MCHR2MCHR1FFAR1
SCHEMBL1587467 0.83 MCHR2 (0.61) SIGMAR1MCHR2MCHR1FFAR1
SCHEMBL15160320 0.82 MCHR2 (0.57) SIGMAR1MCHR2MCHR1FFAR1
SCHEMBL8243511 0.81 ALDH1A1 (0.49) SIGMAR1FFAR1
SCHEMBL3812702 0.81 MCHR2 (0.65) MCHR2MCHR1FFAR1
SCHEMBL4233729 0.80 CYP2D6 (0.55) MCHR2MCHR1FFAR1

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 16 patents. 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 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-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-20120309778-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2012-12-06 US disclosed
US-20120309778-A1 Fused and Spirocycle Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2012-12-06 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-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
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 220/4885MCHR2 3111/4885MCHR1 2727/4885
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C SIGMAR1 220/4885MCHR2 3111/4885MCHR1 2727/4885
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C SIGMAR1 220/4885MCHR2 3111/4885MCHR1 2727/4885

“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.