SCHEMBL3594574

SCHEMBL3594574

CN1C2CCC1CC(Oc1cccc(C#N)c1)C2

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.63
SLC6A3 Q01959 4/20 0.63
SLC6A4 P31645 2/20 0.63
OPRK1 P41145 4/20 0.61
HRH1 P35367 3/20 0.47
CCR3 P51677 3/20 0.47
MGLL Q99685 1/20 0.46
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
TRPA1 O75762 1/20 0.45
KCNH2 Q12809 3/20 0.44
OPRM1 P35372 1/20 0.44
HRH3 Q9Y5N1 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
SCHEMBL3594577 1.00 SLC6A2 (0.63) SLC6A2SLC6A3SLC6A4OPRK1HRH1
SCHEMBL3594573 1.00 SLC6A2 (0.63) SLC6A2SLC6A3SLC6A4OPRK1HRH1
Hydrochloric Acid SCHEMBL3605902 0.99 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4OPRK1HRH1
Hydrochloric Acid SCHEMBL3605898 0.99 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4OPRK1HRH1
Hydrochloric Acid SCHEMBL4232921 0.99 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4OPRK1HRH1
SCHEMBL1028365 0.86 SLC6A2 (0.68) SLC6A2SLC6A3SLC6A4OPRK1KCNH2
SCHEMBL1028366 0.86 SLC6A2 (0.68) SLC6A2SLC6A3SLC6A4OPRK1KCNH2
SCHEMBL1177552 0.85 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4OPRK1KCNH2
SCHEMBL1177550 0.85 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4OPRK1KCNH2
SCHEMBL1177828 0.82 SLC6A2 (0.64) SLC6A2SLC6A3OPRK1GRIN1GRIN2B

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-7723331-B2 Thienopyrimidine compounds and uses thereof ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20080051405-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-02-28 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-20080051405-A1 Therapeutic Agents GPR119, HTT, IAPP SLC6A2 1701/4885SLC6A3 839/4885SLC6A4 1751/4885

“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.