SCHEMBL4801343

SCHEMBL4801343

[CH2]CCCCNC(=O)N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
ADRA1A P35348 1/20 0.44
PKM P14618 1/20 0.42
CHRM1 P11229 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.40
CAPN1 P07384 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 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
SCHEMBL842103 0.95 HTT (0.68) HTTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1446581 0.87 HTT (0.62) HTTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1753844 0.83 HTT (0.87) HTTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL8394887 0.81 HTT (0.84) HTTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL8396561 0.81 HTT (0.84) HTTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL9659457 0.81 HTT (0.84) HTTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5694307 0.81 HTT (0.84) HTTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL5020904 0.81 HTT (0.97) HTTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL23646233 0.80 HTT (0.62) HTTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL23646274 0.80 HTT (0.62) HTTSMN1; SMN2KMT2AMEN1ALDH1A1

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
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR HTT 4093/4885SMN1; SMN2 2527/4885KMT2A 287/4885

“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.