SCHEMBL5454740

SCHEMBL5454740

[CH](CN1CCCC1)N1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
TSHR P16473 2/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KEAP1 Q14145 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.30
LTA4H P09960 1/20 0.30

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
SCHEMBL28399535 0.91 USP2 (0.39) HRH3ALDH1A1KDM4ETSHRUSP2
SCHEMBL5721027 0.89 HRH3 (0.39) HRH3ALDH1A1KDM4ETSHRUSP2
SCHEMBL20853432 0.81 SIGMAR1 (0.33) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL5466976 0.80 CHRNB2 (0.41) HRH3ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL5233749 0.80 CHRNB2 (0.41) HRH3ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL5186716 0.78 ALDH1A1 (0.38) HRH3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4042388 0.76 HRH3 (0.42) HRH3ALDH1A1KDM4ETSHRUSP2
SCHEMBL28988542 0.72
SCHEMBL2031634 0.71 CXCR4 (0.36) HRH3KDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL28465611 0.70 HRH3 (0.33) HRH3CHRNB2CHRNB4CHRNA3CHRNA4

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-20070043010-A1 Quinazoline derivatives ASTRAZENECA UK LIMITED (GB) 2007-02-22 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-20070043010-A1 Quinazoline derivatives ERBB2, ABL1, EGFR HRH3 1612/4885ALDH1A1 2808/4885KDM4E 2957/4885

“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.