SCHEMBL6403876

SCHEMBL6403876

CN1CCN(C2CCCc3ccc(OCc4ccc(N5CCOCC5)cc4)cc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.46
ADRA1A P35348 3/20 0.46
ADRA1B P35368 3/20 0.46
MTNR1B P49286 2/20 0.44
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A9 P48067 2/20 0.39
KCNH2 Q12809 2/20 0.39
HTR1B P28222 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL6408435 0.89 ADRA1D (0.41) ADRA1DADRA1AADRA1BMTNR1BCNR1
SCHEMBL6403250 0.86 MTNR1B (0.48) MTNR1BCNR1CNR2
SCHEMBL6407507 0.83 MTNR1B (0.46) ADRA1DADRA1AADRA1BMTNR1BHRH3
SCHEMBL6409507 0.82 SLC6A5 (0.48) MTNR1BHRH3KCNH2SLC6A5
SCHEMBL6405994 0.81 GRIN1 (0.45) ADRA1DADRA1AADRA1BMTNR1BHRH3
SCHEMBL6409504 0.78 MTNR1B (0.49) MTNR1BGRIN1GRIN2B
SCHEMBL6410620 0.77 HRH3 (0.50) MTNR1BHRH3DRD2
SCHEMBL6001623 0.75 MTNR1B (0.70) MTNR1B
SCHEMBL6405006 0.74 CTSS (0.48) MTNR1B
SCHEMBL6406680 0.73 MTNR1B (0.47) ADRA1AMTNR1BCNR1CNR2HRH3

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.