SCHEMBL4233729

SCHEMBL4233729

COc1ccccc1CN1CCC2(C=Cc3ccccc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.55
USP2 O75604 2/20 0.55
TSHR P16473 2/20 0.52
FFAR1 O14842 1/20 0.50
KCNH2 Q12809 1/20 0.50
MCHR2 Q969V1 5/20 0.49
MCHR1 Q99705 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 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
SCHEMBL4233076 0.80 SIGMAR1 (0.58) FFAR1MCHR2MCHR1
SCHEMBL13519096 0.80 MCHR2 (0.59) FFAR1KCNH2MCHR2MCHR1
SCHEMBL3818960 0.79 MCHR2 (0.56) MCHR2MCHR1
SCHEMBL7382222 0.77 MCHR2 (0.62) CYP2D6TSHRFFAR1MCHR2MCHR1
SCHEMBL8012161 0.77 MCHR2 (0.58) MCHR2MCHR1
SCHEMBL1587013 0.77 MCHR2 (0.51) FFAR1MCHR2MCHR1
SCHEMBL15160318 0.75 FFAR1 (0.56) FFAR1MCHR2MCHR1
SCHEMBL13300484 0.74 MCHR2 (0.57) MCHR2MCHR1
SCHEMBL1577449 0.73 TDP1 (0.58) CYP2D6TSHRMCHR2MCHR1ALDH1A1
SCHEMBL13284339 0.73 MEN1 (0.79) CYP2D6USP2TSHRMEN1KMT2A

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 14 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 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
EP-1943250-A1 FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-07-16 EP claimed
WO-2007028638-A1 FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2007-03-15 WO claimed
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-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-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

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 CYP2D6 237/4885USP2 4819/4885TSHR 3698/4885
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C CYP2D6 237/4885USP2 4819/4885TSHR 3698/4885
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C CYP2D6 237/4885USP2 4819/4885TSHR 3698/4885

“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.