SCHEMBL3602591

SCHEMBL3602591

CC(C)N1CCC(Oc2cccc(C#N)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.71
MGLL Q99685 1/20 0.57
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 2/20 0.54
SLC6A4 P31645 1/20 0.54
HRH1 P35367 3/20 0.51
CCR3 P51677 3/20 0.51
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
CHRM4 P08173 1/20 0.49
EPHX2 P34913 1/20 0.47

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
SCHEMBL4236282 0.85 DRD2 (0.61) HRH3MGLLSLC6A2SLC6A3SLC6A4
SCHEMBL3289104 0.85 HRH3 (0.68) HRH3MGLLSLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL4227255 0.83 HRH3 (0.67) HRH3MGLLSLC6A2SLC6A3SLC6A4
SCHEMBL4233978 0.83 HRH3 (1.00) HRH3
SCHEMBL1409317 0.82 SLC6A2 (0.69) HRH3MGLLSLC6A2SLC6A3SLC6A4
SCHEMBL12377875 0.80 HRH3 (0.54) HRH3SLC6A2SLC6A3SLC6A4EPHX2
SCHEMBL6496199 0.79 SLC6A2 (0.66) HRH3MGLLSLC6A2SLC6A3SLC6A4
SCHEMBL26049997 0.79 SLC6A2 (0.66) HRH3MGLLSLC6A2SLC6A3SLC6A4
SCHEMBL4443660 0.79 HRH3 (0.60) HRH3MGLLSLC6A2SLC6A3SLC6A4
SCHEMBL13898673 0.79 HRH3 (0.53) HRH3SLC6A2SLC6A3SLC6A4

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 7 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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US 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
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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 (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-20080051405-A1 Therapeutic Agents GPR119, HTT, IAPP HRH3 1346/4885MGLL 509/4885SLC6A2 1701/4885
US-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R HRH3 210/4885MGLL 2765/4885SLC6A2 331/4885

“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.