SCHEMBL6408435

SCHEMBL6408435

c1cc(N2CCOCC2)ccc1COc1ccc2c(c1)C(N1CCNCC1)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
MTNR1B P49286 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
HRH3 Q9Y5N1 6/20 0.38
CYP2D6 P10635 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
DDB1 Q16531 2/20 0.37
CRBN Q96SW2 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A9 P48067 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
SLC6A4 P31645 1/20 0.36

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
SCHEMBL6405994 0.92 GRIN1 (0.45) ADRA1DADRA1AADRA1BMTNR1BSIGMAR1
SCHEMBL6403876 0.89 ADRA1D (0.46) ADRA1DADRA1AADRA1BMTNR1BGRIN1
SCHEMBL22411105 0.82 MAOA (0.47) MTNR1BSIGMAR1HRH3KCNH2SLC6A5
SCHEMBL6403250 0.82 MTNR1B (0.48) MTNR1BCNR1CNR2DDB1CRBN
SCHEMBL5871250 0.74 MTNR1B (0.64) MTNR1BSIGMAR1
SCHEMBL6409504 0.74 MTNR1B (0.49) MTNR1BGRIN1GRIN2BDDB1CRBN
SCHEMBL6407507 0.72 MTNR1B (0.46) ADRA1DADRA1AADRA1BMTNR1BGRIN1
SCHEMBL6409507 0.71 SLC6A5 (0.48) MTNR1BHRH3KCNH2SLC6A5
SCHEMBL8649531 0.71 MTNR1B (0.52) MTNR1BSIGMAR1SLC6A9KCNH2
SCHEMBL8655525 0.69 MTNR1B (0.53) MTNR1BSIGMAR1HRH3SLC6A9KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists HTR1A, HTR1B, HTR1D ADRA1D 27/4885ADRA1A 24/4885ADRA1B 28/4885

“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.