SCHEMBL6979499

SCHEMBL6979499

CC(C)=NOCCN1CCCC(O)C1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL15304803 0.90 LTA4H (0.42) HTR1AHRH2HRH1HRH3
SCHEMBL6978837 0.80 KCNA3 (0.36) HRH2HRH1HRH3ALDH1A1
SCHEMBL6978681 0.79 PSMB1 (0.39)
SCHEMBL13151498 0.78 PSMB1 (0.41) HRH3ALDH1A1
SCHEMBL9975277 0.78 PSMB1 (0.41) HRH3ALDH1A1
SCHEMBL6959283 0.77 HTR1A (0.38) HTR1AHRH2HRH1HRH3
Hydrochloric Acid SCHEMBL28035282 0.76 PSMB1 (0.41) HRH3ALDH1A1
SCHEMBL13656333 0.74 HTR1A (0.47) HTR1AHRH2HRH1HRH3ALDH1A1
SCHEMBL6980020 0.72 GNAI3 (0.42) HRH2HRH1HRH3
SCHEMBL20698407 0.72 HTR1A (0.58) HTR1AHRH2HRH1HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854789-B1 QUINAZOLINE DERIVATIVE HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2013-10-09 EP disclosed
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 HTR1A 489/4885HRH2 138/4885HRH1 218/4885

“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.