SCHEMBL6407507

SCHEMBL6407507

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.46
SLC6A5 Q9Y345 2/20 0.44
HRH3 Q9Y5N1 5/20 0.42
CYP2D6 P10635 3/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APP P05067 1/20 0.41
MTNR1A P48039 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
S1PR1 P21453 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
SCHEMBL6409507 0.91 SLC6A5 (0.48) MTNR1BSLC6A5HRH3
SCHEMBL6407452 0.87 MTNR1B (0.52) MTNR1BSLC6A5MTNR1A
SCHEMBL6403876 0.83 ADRA1D (0.46) MTNR1BSLC6A5HRH3GRIN1GRIN2B
SCHEMBL22411105 0.80 MAOA (0.47) MTNR1BSLC6A5HRH3S1PR1
SCHEMBL6403218 0.80 MTNR1B (0.50) MTNR1BSLC6A5MTNR1A
SCHEMBL6410620 0.79 HRH3 (0.50) MTNR1BHRH3CYP2D6NPC1RAB9A
SCHEMBL6409482 0.77 MTNR1B (0.52) MTNR1BMTNR1A
SCHEMBL6001623 0.77 MTNR1B (0.70) MTNR1BMTNR1A
SCHEMBL6409860 0.75 HTR2C (0.48) NPC1CYP1A2CYP2C19RAB9A
SCHEMBL6409504 0.75 MTNR1B (0.49) MTNR1BSMN1; SMN2MTNR1AGRIN1GRIN2B

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 4 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
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
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 63/4885SLC6A5 976/4885HRH3 136/4885

“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.