SCHEMBL8243455

SCHEMBL8243455

CC(C)(C)OC(=O)N1CCC2(CCc3cccnc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
GPR119 Q8TDV5 6/20 0.46
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
KDM1A O60341 1/20 0.44
MAPK1 P28482 1/20 0.44
DTYMK P23919 1/20 0.43
GRM5 P41594 2/20 0.43
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
NAMPT P43490 1/20 0.41
USP30 Q70CQ3 1/20 0.41
GRM1 Q13255 1/20 0.41

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
SCHEMBL29771020 0.82 KDM1A (0.38) POLBGPR119KDM1AMAPK1FNTA
SCHEMBL2109651 0.80 RBP4 (0.51) KDM1AMAPK1ALOX15TSHRUSP30
SCHEMBL12566957 0.80 POLB (0.49) POLBGPR119OPRD1OPRK1MAPK1
SCHEMBL31694131 0.80 POLB (0.49) POLBGPR119OPRD1OPRK1DTYMK
SCHEMBL20510139 0.79 POLB (0.48) POLBGPR119OPRD1OPRK1KDM1A
SCHEMBL12701629 0.79 AVPR1A (0.50) POLBGPR119OPRD1OPRK1MAPK1
SCHEMBL21383790 0.79 POLB (0.48) POLBGPR119OPRD1OPRK1MAPK1
SCHEMBL31492730 0.79 POLB (0.48) POLBGPR119OPRD1OPRK1MAPK1
SCHEMBL21384217 0.79 POLB (0.48) POLBGPR119OPRD1OPRK1MAPK1
SCHEMBL30484944 0.79 POLB (0.48) POLBGPR119OPRD1OPRK1MAPK1

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
WO-2020210384-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2020-10-15 WO 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-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
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 POLB 4722/4885GPR119 1357/4885OPRD1 123/4885
US-20090118319-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C POLB 4722/4885GPR119 1357/4885OPRD1 123/4885
US-20140045875-A1 Fused and Spirocycle Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1C POLB 4722/4885GPR119 1357/4885OPRD1 123/4885

“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.