SCHEMBL1787933

SCHEMBL1787933

COC(=O)CCCN1CCC[C@@H](OCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 4/20 0.50
▸ CHRNB4 P30926 4/20 0.50
▸ CHRNA3 P32297 4/20 0.50
▸ CHRNA4 P43681 4/20 0.50
▸ DRD2 P14416 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ BCHE P06276 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAOB P27338 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TMEM97 Q5BJF2 2/20 0.46
▸ SIGMAR1 Q99720 2/20 0.46
▸ CARM1 Q86X55 1/20 0.46
▸ PRMT6 Q96LA8 1/20 0.46
▸ PRMT8 Q9NR22 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL4789433 0.89 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4DRD2
SCHEMBL28485695 0.82 BCHE (0.54) BCHETMEM97SIGMAR1CARM1PRMT6
SCHEMBL21206426 0.82 BCHE (0.54) BCHETMEM97SIGMAR1CARM1PRMT6
SCHEMBL21198787 0.81 BCHE (0.58) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL21198788 0.81 BCHE (0.58) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL28489343 0.80 BCHE (0.57) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL28489345 0.80 BCHE (0.57) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
SCHEMBL27741092 0.80 DRD2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4DRD2
SCHEMBL7246333 0.79 CARM1 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4BCHE
Lithium Ion SCHEMBL29789468 0.78 BCHE (0.55) CHRNB2CHRNB4CHRNA3CHRNA4BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 — — US disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 — — US disclosed
US-8324222-B2 Cyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-04 — — US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 — — US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 — — US disclosed
US-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 — — US disclosed
EP-1966218-B1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2010-07-14 — — EP disclosed
EP-1966218-B1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AG (DE) 2010-07-14 — — EP disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 — — WO disclosed
WO-2008131859-A2 USE OF CYCLICALLY SUBSTITUTED FUROPYRIMIDINE DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTONIA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-06 — — WO disclosed
WO-2007079861-A1 NOVEL, CYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-07-19 — — 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 (1 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-20110124665-A1 Novel, Cyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, TK2, TPMT CHRNB2 4826/4885CHRNB4 4839/4885CHRNA3 4817/4885

“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.

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