SCHEMBL6827997

SCHEMBL6827997

O=C1Nc2cc(CN3CCOCC3)ccc2NC2=C1CCC(Cl)=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.42
KDR P35968 2/20 0.42
HRH3 Q9Y5N1 2/20 0.40
PARP1 P09874 4/20 0.40
DRD4 P21917 2/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
AKR1C3 P42330 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL6827446 0.81 CHEK1 (0.43) PDGFRBLRRK2ALDH1A1MAPTSMN1; SMN2
SCHEMBL4858818 0.75 CHEK1 (0.49) PDGFRBKDRHRH3DRD4AKR1C3
SCHEMBL28387573 0.67 TSHR (0.54) HRH3PARP1DRD4DDB1CRBN
SCHEMBL4855638 0.65 SIGMAR1 (0.51) SIGMAR1LRRK2KCNJ1
SCHEMBL15467001 0.65 HRH3 (0.87) HRH3AKR1C3ALDH1A1LMNAMAPT
SCHEMBL5618352 0.65 SMN1; SMN2 (0.71) HRH3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL532537 0.64 DRD4 (0.72) PARP1DRD4HTR1ACHRM5ADRA2A
SCHEMBL15676971 0.62 SMN1; SMN2 (0.51) HRH3PARP1DRD4DRD2ALDH1A1
4-(4-Chlorobenzyl)Morpholine SCHEMBL4103722 0.62 HRH3 (0.74) HRH3AKR1C3SIGMAR1ALDH1A1LMNA
SCHEMBL28384046 0.62 SMN1; SMN2 (0.48) HRH3PARP1OTUD7BALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 PDGFRB 694/4885KDR 952/4885HRH3 3420/4885

“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.