SCHEMBL4931982

SCHEMBL4931982

CN1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(CNCc3cccc(Oc4ccccc4)c3)c1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.59
SLC6A3 Q01959 2/20 0.59
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
OPRK1 P41145 9/20 0.50
KCNH2 Q12809 8/20 0.49
OPRM1 P35372 6/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
OPRD1 P41143 4/20 0.46
BCHE P06276 1/20 0.42
ROCK1 Q13464 1/20 0.42
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL4931974 1.00 SLC6A2 (0.59) SLC6A2SLC6A3KDM4EALDH1A1HTT
SCHEMBL4934783 0.95 SLC6A3 (0.56) SLC6A2SLC6A3KDM4EALDH1A1HTT
SCHEMBL4934782 0.95 SLC6A3 (0.56) SLC6A2SLC6A3KDM4EALDH1A1HTT
SCHEMBL14026975 0.89 SLC6A3 (0.56) SLC6A2SLC6A3KDM4EALDH1A1HTT
SCHEMBL4226115 0.87 SLC6A2 (0.49) SLC6A2SLC6A3KDM4EALDH1A1HTT
SCHEMBL4226118 0.87 SLC6A2 (0.49) SLC6A2SLC6A3KDM4EALDH1A1HTT
SCHEMBL4228506 0.84 SLC6A2 (0.58) SLC6A2SLC6A3ALDH1A1OPRK1KCNH2
SCHEMBL4228503 0.84 SLC6A2 (0.58) SLC6A2SLC6A3ALDH1A1OPRK1KCNH2
SCHEMBL4934168 0.83 MAPK14 (0.56) SLC6A2SLC6A3HTTSMN1; SMN2OPRK1
SCHEMBL4934170 0.83 MAPK14 (0.56) SLC6A2SLC6A3HTTSMN1; SMN2OPRK1

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-20080269275-A1 Novel Mchr1 Antagonists and Their Use for the Treatment of Mchr1 Mediated Conditions and Disorders ASTRAZENECA AB (SE) 2008-10-30 US claimed
US-20080269275-A1 Novel Mchr1 Antagonists and Their Use for the Treatment of Mchr1 Mediated Conditions and Disorders ASTRAZENECA AB (SE) 2008-10-30 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-20080269275-A1 Novel Mchr1 Antagonists and Their Use for the Treatment of Mchr1 Mediated Conditions and Disorders MCHR1, MCHR2, HCRTR1 SLC6A2 231/4885SLC6A3 212/4885KDM4E 2600/4885

“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.