SCHEMBL3601894

SCHEMBL3601894

CN1CCC(COc2cccc(C#N)c2)C1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
MET P08581 1/20 0.47
NQO2 P16083 1/20 0.47
MGLL Q99685 1/20 0.46
DRD4 P21917 2/20 0.46
SIGMAR1 Q99720 3/20 0.46
HRH1 P35367 1/20 0.46
CCR3 P51677 1/20 0.46
VNN1 O95497 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
TBXAS1 P24557 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44

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
SCHEMBL3605627 0.93 MET (0.52) DRD2DRD3METNQO2MGLL
SCHEMBL1848360 0.82 SLC6A2 (0.57) SIGMAR1SLC6A2SLC6A4SLC6A3TBXAS1
SCHEMBL2743284 0.82 CARM1 (0.60) DRD2DRD4CARM1PRMT6
SCHEMBL1626059 0.82 HRH1 (0.50) DRD2DRD3METNQO2MGLL
SCHEMBL3605852 0.82 CHRNB4 (0.49) DRD2DRD3DRD4CHRNB4CHRNA3
SCHEMBL5251162 0.81 MAOA (0.52) DRD2DRD3CHRNB4CHRNA3
SCHEMBL20303982 0.80 KDM1A (0.50) CHRNB4CHRNA3CARM1PRMT6
SCHEMBL17166480 0.80 DRD4 (0.60) DRD4
SCHEMBL3614551 0.78 CHRNB4 (0.69) CHRNB4CHRNA3
SCHEMBL9244259 0.78 CHRNB4 (0.69) CHRNB4CHRNA3

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-7723331-B2 Thienopyrimidine compounds and uses thereof ASTRAZENECA AB (SE) 2010-05-25 US disclosed
EP-2121703-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20080051405-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-02-28 US disclosed
WO-2008020799-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 WO 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 DRD2 1842/4885DRD3 2558/4885MET 2703/4885

“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.