SCHEMBL6406566

SCHEMBL6406566

COc1ccc(-c2ccc3c(c2)C(N2CCN(C)CC2)CCC3)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 5/20 0.48
KCNH2 Q12809 4/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
USP30 Q70CQ3 1/20 0.41
MTNR1A P48039 2/20 0.40
RIOK2 Q9BVS4 1/20 0.40
WDR5 P61964 1/20 0.40
DRD2 P14416 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL6405038 0.85 DRD2 (0.43) MTNR1BPIK3CDUSP30DRD2
SCHEMBL6406929 0.81 MTNR1B (0.49) MTNR1BDRD2
SCHEMBL6405872 0.80 MTNR1B (0.55) MTNR1BMTNR1A
SCHEMBL6404916 0.80 DRD2 (0.61) MTNR1BDRD2
SCHEMBL6406808 0.79 CNR2 (0.51) PIK3CD
SCHEMBL6405018 0.79 DRD2 (0.57) MTNR1BDRD2
SCHEMBL6404494 0.78 DRD2 (0.57) MTNR1BDRD2HRH3
SCHEMBL6409744 0.78 DRD2 (0.57) MTNR1BDRD2HRH3
SCHEMBL6405877 0.77 DRD2 (0.44) MTNR1BDRD2
SCHEMBL6405122 0.77 MTNR1B (0.44) MTNR1BDRD2

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 63/4885KCNH2 643/4885PIK3CD 3161/4885

“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.