SCHEMBL4236501

SCHEMBL4236501

COc1ccc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 1/20 0.55
HSD11B1 P28845 1/20 0.44
FFAR1 O14842 1/20 0.44
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1L1 Q9UHC9 1/20 0.42
CCR2 P41597 4/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL4233426 0.78 NPY5R (0.50)
SCHEMBL3839355 0.77 MCHR2 (0.61) MCHR2HSD11B1FFAR1USP2TSHR
SCHEMBL3837633 0.76 MCHR2 (0.60) MCHR2HSD11B1NPC1L1
SCHEMBL4984631 0.76 MCHR2 (0.60) MCHR2HSD11B1FFAR1SMN1; SMN2NPC1L1
SCHEMBL2585297 0.74 MAPK1 (0.50) SMN1; SMN2ALDH1A1LMNA
SCHEMBL762618 0.73 MCHR2 (0.58) MCHR2HSD11B1FFAR1NPC1L1
SCHEMBL762613 0.73 MCHR2 (0.57) MCHR2HSD11B1NPC1L1LMNA
SCHEMBL1577454 0.73 ENPP2 (0.50) MCHR2HSD11B1CCR2
SCHEMBL2592717 0.72 L3MBTL1 (0.54)
SCHEMBL11951958 0.70 MGLL (0.40) USP2TSHRSMN1; SMN2ALDH1A1LMNA

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 10 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
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

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 MCHR2 3111/4885HSD11B1 967/4885FFAR1 606/4885
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C MCHR2 3111/4885HSD11B1 967/4885FFAR1 606/4885
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C MCHR2 3111/4885HSD11B1 967/4885FFAR1 606/4885

“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.