SCHEMBL4457549

SCHEMBL4457549

O=C(O)N1CCC(COc2ncc(-c3ccc(C(=O)N4CCOCC4)cc3)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD4 P21917 1/20 0.47
SLC6A2 P23975 1/20 0.47
HRH2 P25021 1/20 0.47
SLC6A4 P31645 1/20 0.47
HRH1 P35367 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
BMPR1B O00238 1/20 0.45
BMPR1A P36894 1/20 0.45
TGFBR1 P36897 1/20 0.45
ACVRL1 P37023 1/20 0.45
ACVR1 Q04771 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL4457038 0.88 POLB (0.51) HRH3POLBBMPR1BBMPR1ATGFBR1
SCHEMBL14191522 0.86 GPR119 (0.56) HRH3CHRM2CHRM1ADRA2CCHRM3
SCHEMBL4461701 0.85 HDAC4 (0.44) HRH3HTR2B
SCHEMBL4456604 0.84 POLB (0.49) ALDH1A1POLBGAASMN1; SMN2HPGD
SCHEMBL4456659 0.84 PARP15 (0.48) MKNK1MKNK2
SCHEMBL4455528 0.82 HRH3 (0.47) HRH3
SCHEMBL4461819 0.82 CHRM4 (0.43) DRD4HPGD
SCHEMBL4455478 0.81 GPR119 (0.46) ALDH1A1
SCHEMBL4455518 0.80 GRIN2B (0.46) KCNH2
SCHEMBL4460046 0.80 SPHK2 (0.46) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP claimed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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-20080103141-A1 New compounds GPR119, GPR3, GPR4 HRH3 309/4885CHRM2 122/4885CHRM1 153/4885

“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.