SCHEMBL6976638

SCHEMBL6976638

C/C=N/OCCN1CCN(C(=O)CCC)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.44
HRH1 P35367 4/20 0.44
DRD3 P35462 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GNAI3 P08754 1/20 0.34
GNAI1 P63096 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL9975279 0.87 HSD11B1 (0.40) DRD3HTR1AHTR7HSD11B1
SCHEMBL6956487 0.85 HRH2 (0.41) HRH2HRH1DRD3CHRNB2CHRNA3
SCHEMBL6976155 0.83 DRD3 (0.39) DRD3HSD11B1KMT2AALDH1A1MAPT
SCHEMBL6976370 0.82 DRD3 (0.48) DRD3HSD11B1TDP1ALDH1A1
SCHEMBL6978378 0.79 DRD3 (0.36) DRD3HSD11B1
SCHEMBL24745090 0.76 CHRNB2 (0.48) HRH2HRH1CHRNB2CHRNA3CHRNA4
SCHEMBL5845337 0.76 HRH2 (0.50) HRH2HRH1DRD3CHRNB2CHRNA3
Hydrochloric Acid SCHEMBL5843296 0.75 HRH2 (0.49) HRH2HRH1DRD3CHRNB2CHRNA3
SCHEMBL6956533 0.73 HSD11B1 (0.40) HRH2HRH1DRD3HTR1AHTR7
SCHEMBL12424660 0.73 TSHR (0.54) HRH2HRH1CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 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-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 HRH2 138/4885HRH1 218/4885DRD3 804/4885

“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.