SCHEMBL14375366

SCHEMBL14375366

CC[C@H]1CCCN1Cc1ccc(C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.60
SPHK2 Q9NRA0 4/20 0.56
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD11B1 P28845 1/20 0.47
SPHK1 Q9NYA1 3/20 0.47
DRD4 P21917 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC1 Q13547 1/20 0.44
SLC6A4 P31645 1/20 0.43

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
SCHEMBL13215732 0.81 ALDH1A1 (0.57) HRH3SPHK2MAPK1ALDH1A1CRHBP
SCHEMBL9893059 0.81 MAPK1 (0.56) SPHK2MAPK1ALDH1A1CRHBPCRHR2
SCHEMBL3572935 0.80 ALDH1A1 (0.60) HRH3SPHK2MAPK1ALDH1A1CRHBP
SCHEMBL9892993 0.80 MAPK1 (0.55) SPHK2MAPK1ALDH1A1CRHBPCRHR2
SCHEMBL25824759 0.80 MAPK1 (0.55) HRH3SPHK2MAPK1ALDH1A1CRHBP
SCHEMBL14395220 0.80 MAPK1 (0.54) SPHK2MAPK1ALDH1A1CRHBPCRHR2
SCHEMBL11990426 0.80 MAPK1 (0.54) SPHK2MAPK1ALDH1A1CRHBPCRHR2
SCHEMBL22549599 0.78 MAPK1 (0.52) HRH3SPHK2MAPK1ALDH1A1CRHBP
SCHEMBL7360051 0.78 HSD11B1 (0.51) HRH3SPHK2HSD11B1DRD4TMEM97
SCHEMBL7852374 0.77 MAPK1 (0.62) SPHK2MAPK1ALDH1A1CRHBPCRHR2

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-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 US disclosed
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 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-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine CXCR4, CXCR1, CXCR3 HRH3 418/4885SPHK2 838/4885MAPK1 1616/4885

“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.