SCHEMBL6405980

SCHEMBL6405980

CC(C)(C)OC(=O)N1CCN(C2CCCc3ccc(OCc4ccc(-c5ccc(Cl)c(Cl)c5)cc4)cc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.48
MTNR1A P48039 5/20 0.41
YAP1 P46937 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HTR1B P28222 1/20 0.40
SLC6A9 P48067 1/20 0.40
KCNH2 Q12809 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40

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
SCHEMBL6407452 0.87 MTNR1B (0.52) MTNR1BMTNR1AYAP1GPR119SLC6A5
SCHEMBL6409482 0.87 MTNR1B (0.52) MTNR1BMTNR1AYAP1GPR119
SCHEMBL6403218 0.86 MTNR1B (0.50) MTNR1BMTNR1AYAP1GPR119SLC6A5
SCHEMBL6409504 0.85 MTNR1B (0.49) MTNR1BMTNR1AGPR119
SCHEMBL6403250 0.84 MTNR1B (0.48) MTNR1BMTNR1AGPR119
SCHEMBL6408595 0.80 MTNR1B (0.56) MTNR1BMTNR1AGPR119NPC1RAB9A
SCHEMBL6422049 0.79 MTNR1B (0.73) MTNR1BMTNR1ANPC1RAB9A
SCHEMBL6409459 0.79 MTNR1B (0.54) MTNR1BMTNR1AGPR119NPC1RAB9A
SCHEMBL6405918 0.77 MTNR1B (0.54) MTNR1BMTNR1ANPC1RAB9A
SCHEMBL6407507 0.74 MTNR1B (0.46) MTNR1BMTNR1AHRH3NPC1RAB9A

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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US disclosed
WO-2005113527-A1 TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS PFIZER PRODUCTS INC. (US) 2005-12-01 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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists HTR1A, HTR1B, HTR1D MTNR1B 63/4885MTNR1A 113/4885YAP1 2006/4885

“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.