SCHEMBL4690316

SCHEMBL4690316

COC(=O)CCCC(CCC1(CCN2CCC(NC(=O)c3occc3-c3ccc(C)cc3)CC2)CCCCC1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1B P35368 1/20 0.36
TSHR P16473 1/20 0.34
MAPK10 P53779 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
CARM1 Q86X55 2/20 0.33
PRMT6 Q96LA8 2/20 0.33
MCHR1 Q99705 2/20 0.33
TACR2 P21452 1/20 0.33
MTTP P55157 2/20 0.32
OPRM1 P35372 2/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL4690497 0.91 PDE10A (0.35) ADRA1AADRA1DADRA1BTSHRMAPK10
SCHEMBL4691461 0.86 MCHR1 (0.38) ADRA1AADRA1DADRA1BTSHRMAPK10
SCHEMBL4687466 0.85 L3MBTL1 (0.34) ADRA1AADRA1DADRA1BTSHRSMN1; SMN2
SCHEMBL4690493 0.84 CARM1 (0.35) ADRA1AADRA1DADRA1BTSHRSMN1; SMN2
SCHEMBL4687521 0.84 MCHR1 (0.32) TSHRMAPK10SMN1; SMN2POLBMCHR1
SCHEMBL4688064 0.81 CCR6 (0.35) ADRA1AADRA1DADRA1BPOLBCARM1
SCHEMBL5107097 0.81 L3MBTL1 (0.36) ADRA1APOLBCARM1PRMT6MCHR1
SCHEMBL4693190 0.81 L3MBTL1 (0.39) ADRA1AADRA1DADRA1BTSHRSMN1; SMN2
SCHEMBL4691029 0.80 L3MBTL1 (0.35) POLBMCHR1KCNH2HTR7LMNA
SCHEMBL4690321 0.79 OPRM1 (0.45) ADRA1AADRA1BOPRM1CHRM2OPRD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1443046-B1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME KYORIN SEIYAKU KK (JP) 2008-12-17 EP disclosed
US-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. 2008-08-14 US disclosed
US-7375115-B2 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 US disclosed
US-20050085508-A1 Novel 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 US disclosed
EP-1443046-A1 NOVEL 4-(2FUROYL)AMINOPIPERIDINES, INTERMEDIATES IN SYNTHESIZING THE SAME, PROCESS FOR PRODUCING THE SAME AND MEDICINAL USE OF THE SAME Kyorin Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP 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 (2 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-20080194826-A1 Novel 4-(2-furoyl) aminopiperidienes, intermediates for synthesizing the same, processes for preparing the same and medicinal use of the same CYP4F2, CYP1A2, CYP4B1 ADRA1A 507/4885ADRA1D 670/4885ADRA1B 775/4885
US-20050085508-A1 Novel 4-(2-furoyl) aminopiperidines, intermediates in synthesizing the same, process for producing the same and medicinal use of the same OPRM1, OPRD1, HRH4 ADRA1A 106/4885ADRA1D 96/4885ADRA1B 282/4885

“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.