SCHEMBL6404493

SCHEMBL6404493

CN1CCN(C2CCCc3ccc(C4CCCNC4)cc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR2A P28223 1/20 0.41
MTNR1B P49286 2/20 0.41
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL6403231 0.88 MTNR1B (0.42) MTNR1BDRD3
SCHEMBL6403192 0.85 QDPR (0.47) MTNR1BDRD3
SCHEMBL6409562 0.83 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2MTNR1B
SCHEMBL6405341 0.74 MTNR1B (0.50) CYP2D6SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6001636 0.74 DRD2 (0.52) CYP2D6SLC6A3MTNR1BDRD2DRD3
SCHEMBL6406991 0.74 MTNR1B (0.47) HTR2AMTNR1BDRD2
SCHEMBL6002172 0.74 OPRM1 (0.51) MTNR1BDRD3
SCHEMBL6000179 0.74 MTNR1B (0.45) MTNR1B
SCHEMBL6405006 0.74 CTSS (0.48) MTNR1B
SCHEMBL7677474 0.72 MTNR1B (0.57) HTR2AMTNR1B

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 CYP2D6 534/4885SLC6A2 212/4885SLC6A4 125/4885

“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.