SCHEMBL6961891

SCHEMBL6961891

CC(C)C[C@H]1CCCN1CCO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
SPHK2 Q9NRA0 2/20 0.36
SPHK1 Q9NYA1 2/20 0.36
HTT P42858 2/20 0.36
SLC6A9 P48067 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 2/20 0.35
S1PR4 O95977 1/20 0.35
OPRD1 P41143 3/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
ADRA1D P25100 3/20 0.32
ADRA1A P35348 3/20 0.32
ADRA1B P35368 3/20 0.32

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
SCHEMBL24577733 1.00 HRH3 (0.41) HRH3SPHK2SPHK1HTTSLC6A9
SCHEMBL23686000 1.00 HRH3 (0.41) HRH3SPHK2SPHK1HTTSLC6A9
SCHEMBL20755956 0.83 HRH3 (0.41) HRH3SPHK2SPHK1HTTSLC6A9
SCHEMBL12039770 0.83 HRH3 (0.41) HRH3SPHK1HTTSLC6A9L3MBTL1
SCHEMBL17834068 0.81 HRH3 (0.41) HRH3SPHK2SPHK1HTTSLC6A9
SCHEMBL3086879 0.81 HRH3 (0.41) HRH3SPHK2SPHK1HTTSLC6A9
SCHEMBL12621129 0.81 HRH3 (0.41) HRH3SPHK2SPHK1HTTSLC6A9
SCHEMBL27290410 0.80 S1PR1 (0.47) HRH3SPHK2SPHK1HTTL3MBTL1
SCHEMBL25982063 0.79 HRH3 (0.39) HRH3SPHK2SPHK1HTTSLC6A9
SCHEMBL25982061 0.79 GBA1 (0.41) HRH3SLC6A9S1PR1S1PR3S1PR5

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 4 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-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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 (2 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 HRH3 190/4885SPHK2 1493/4885SPHK1 2201/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 HRH3 190/4885SPHK2 1493/4885SPHK1 2201/4885

“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.