SCHEMBL6405918

SCHEMBL6405918

CC(C)(C)OC(=O)N1CCN(C2CCCc3ccc(O)cc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.54
ESR2 Q92731 1/20 0.54
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MTNR1A P48039 5/20 0.46
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NR1H2 P55055 1/20 0.42

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
SCHEMBL6422049 0.87 MTNR1B (0.73) MTNR1BNPC1RAB9AMTNR1A
SCHEMBL2259511 0.87 MTNR1B (0.53) MTNR1BNPC1RAB9AMTNR1ACNR1
SCHEMBL2261060 0.85 MTNR1B (0.53) MTNR1BNPC1RAB9AMTNR1ACNR1
SCHEMBL6423382 0.85 CHRNA7 (0.51) MTNR1BNPC1RAB9A
SCHEMBL6408595 0.81 MTNR1B (0.56) MTNR1BNPC1RAB9AMTNR1A
SCHEMBL6421368 0.81 CHRNA7 (0.50) MTNR1BNPC1RAB9A
SCHEMBL6409459 0.81 MTNR1B (0.54) MTNR1BNPC1RAB9AMTNR1A
SCHEMBL6409482 0.81 MTNR1B (0.52) MTNR1BMTNR1A
SCHEMBL6407452 0.81 MTNR1B (0.52) MTNR1BMTNR1A
SCHEMBL6405341 0.80 MTNR1B (0.50) MTNR1B

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 63/4885ESR2 455/4885NPC1 2461/4885

“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.