SCHEMBL4461701

SCHEMBL4461701

O=C(O)N1CCC(COc2ncc(-c3ccc(C(=O)N4CCC(O)C4)cc3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
ATR Q13535 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
GABRA5 P31644 1/20 0.42
HTR2B P41595 2/20 0.41
ACHE P22303 1/20 0.41
VNN1 O95497 1/20 0.41
CYP11B2 P19099 1/20 0.40
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
CDK19 Q9BWU1 1/20 0.40
CHEK2 O96017 1/20 0.40

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
SCHEMBL14191536 0.86 GPR119 (0.53) CHEK2
SCHEMBL4455528 0.86 HRH3 (0.47) ATRHRH3VNN1
SCHEMBL4457038 0.85 POLB (0.51) HRH3HTR2BCHEK2
SCHEMBL4457549 0.85 HRH3 (0.47) HRH3HTR2B
SCHEMBL4456659 0.84 PARP15 (0.48) ACHECHEK2
SCHEMBL16803760 0.83 HRH3 (0.43) HDAC4ATRHRH3GABRA5ACHE
SCHEMBL4376173 0.83 ATR (0.48) HDAC4ATRHRH3GABRA5HTR2B
SCHEMBL16777532 0.82 HDAC4 (0.42) HDAC4ATRHRH3GABRA5ACHE
SCHEMBL15538948 0.82 HDAC4 (0.42) HDAC4ATRHRH3GABRA5ACHE
SCHEMBL4461819 0.82 CHRM4 (0.43) ACHE

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 HDAC4 1564/4885ATR 4254/4885HRH3 309/4885

“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.