SCHEMBL6403218

SCHEMBL6403218

CC(C)(C)OC(=O)N1CCN(C2CCCc3ccc(OCc4ccc(C(F)(F)F)cc4)cc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.50
MAPT P10636 1/20 0.46
SLC6A5 Q9Y345 2/20 0.44
MTNR1A P48039 5/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
YAP1 P46937 3/20 0.44
GPR119 Q8TDV5 1/20 0.43

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 0.93 MTNR1B (0.52) MTNR1BSLC6A5MTNR1AYAP1GPR119
SCHEMBL6409482 0.90 MTNR1B (0.52) MTNR1BMTNR1AYAP1GPR119
SCHEMBL6409504 0.87 MTNR1B (0.49) MTNR1BMAPTMTNR1AGPR119
SCHEMBL6409507 0.86 SLC6A5 (0.48) MTNR1BSLC6A5MAOAMAOB
SCHEMBL6403250 0.86 MTNR1B (0.48) MTNR1BMAPTMTNR1AGPR119
SCHEMBL6405980 0.86 MTNR1B (0.48) MTNR1BSLC6A5MTNR1AYAP1GPR119
SCHEMBL6408595 0.82 MTNR1B (0.56) MTNR1BMTNR1AGPR119
SCHEMBL22411105 0.82 MAOA (0.47) MTNR1BSLC6A5MAOAMAOB
SCHEMBL6422049 0.81 MTNR1B (0.73) MTNR1BMTNR1A
SCHEMBL6409459 0.81 MTNR1B (0.54) MTNR1BMTNR1AGPR119

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 MTNR1B 63/4885MAPT 3268/4885SLC6A5 976/4885

“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.