SCHEMBL9975336

SCHEMBL9975336

CC[C@H]1CCCN1CCO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.42
SPHK1 Q9NYA1 2/20 0.42
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 3/20 0.41
S1PR5 Q9H228 3/20 0.41
S1PR4 O95977 1/20 0.41
TERT O14746 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.36
OPRD1 P41143 3/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL12067113 1.00 SPHK2 (0.42) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL6683104 0.94 TERT (0.43) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL2116370 0.88 S1PR1 (0.45) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL25681705 0.87
SCHEMBL23828670 0.87 S1PR1 (0.41) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL23645217 0.84 S1PR1 (0.49) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL24577734 0.84 S1PR1 (0.49) SPHK2SPHK1S1PR1S1PR3S1PR5
SCHEMBL3431942 0.83 SPHK2 (0.47) SPHK2SPHK1TERTHTTHRH3
SCHEMBL3427098 0.83 SPHK2 (0.47) SPHK2SPHK1TERTHTTHRH3
SCHEMBL3429567 0.83 SPHK2 (0.47) SPHK2SPHK1TERTHTTHRH3

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-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 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 (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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 SPHK2 1493/4885SPHK1 2201/4885S1PR1 2867/4885

“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.