SCHEMBL4530889

SCHEMBL4530889

C[C@@H](O)CN(C)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
LMNA P02545 2/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRK1 P41145 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL4530213 1.00 DNM1 (0.54) DNM1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL9700093 0.86 DNM1 (0.55) DNM1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL18002366 0.85 DNM1 (0.51) DNM1SMN1; SMN2MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL10624580 0.84 DNM1 (0.54) DNM1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL172668 0.83 TSHR (0.54) DNM1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL9197937 0.82 DNM1 (0.53) DNM1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL893965 0.82 TSHR (0.59) MEN1KMT2ATSHRALDH1A1ADRA2B
SCHEMBL12786257 0.82 TSHR (0.64) MEN1KMT2ATSHRALDH1A1ADRA2B
SCHEMBL9597865 0.82 TSHR (0.59) MEN1KMT2ATSHRALDH1A1ADRA2B
SCHEMBL1608155 0.82 TSHR (0.59) MEN1KMT2ATSHRALDH1A1ADRA2B

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
EP-1966217-B1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-05-08 EP disclosed
EP-1966217-B1 NOVEL, ACYCLIC SUBSTITUTED FUROPYRIMIDINE DERIVATIVES AND USE THEREOF FOR TREATING CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2013-05-08 EP disclosed
CN-101384603-B Novel, acyclic substituted furopyrimidine derivatives and use thereof for treating cardiovascular diseases BAYER SCHERING PHARMA AG 2012-08-01 CN disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-8183246-B2 Acyclically substituted furopyrimidine derivatives and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-05-22 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
US-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2009-12-24 US disclosed
WO-2007079862-A1 NOVEL, ACYCLIC 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-20090318475-A1 Novel, Acyclically Substituted Furopyrimidine Derivatives and Use Thereof DPYD, PNPO, TPMT DNM1 2745/4885SMN1; SMN2 2513/4885MEN1 2837/4885

“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.