SCHEMBL6409507

SCHEMBL6409507

CN1CCN(C2CCCc3ccc(OCc4ccc(C(F)(F)F)cc4)cc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 8/20 0.48
MAOB P27338 4/20 0.48
MAOA P21397 3/20 0.48
MTNR1B P49286 2/20 0.45
HRH3 Q9Y5N1 3/20 0.45
SRD5A1 P18405 1/20 0.44
KDM1A O60341 1/20 0.43
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 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
SCHEMBL6407507 0.91 MTNR1B (0.46) SLC6A5MTNR1BHRH3
SCHEMBL22411105 0.89 MAOA (0.47) SLC6A5MAOBMAOAMTNR1BHRH3
SCHEMBL6403218 0.86 MTNR1B (0.50) SLC6A5MAOBMAOAMTNR1B
SCHEMBL6403876 0.82 ADRA1D (0.46) SLC6A5MTNR1BHRH3KCNH2
SCHEMBL6404770 0.81 HTR2C (0.50) SLC6A5MTNR1BHRH3
SCHEMBL6404942 0.80 SIGMAR1 (0.49) MTNR1BHRH3MCHR1
SCHEMBL6410620 0.78 HRH3 (0.50) MAOBMAOAMTNR1BHRH3KDM1A
SCHEMBL6407452 0.78 MTNR1B (0.52) SLC6A5MTNR1B
SCHEMBL6001733 0.76 MTNR1B (0.50) MTNR1B
SCHEMBL6001623 0.76 MTNR1B (0.70) 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 3 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 claimed
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 SLC6A5 976/4885MAOB 120/4885MAOA 130/4885

“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.