SCHEMBL6409562

SCHEMBL6409562

CN1CCN(C2CCCc3ccc(C4CCCN(C)C4)cc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
LSS P48449 3/20 0.43
MTNR1B P49286 1/20 0.42

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
SCHEMBL6403192 0.87 QDPR (0.47) DRD3MTNR1B
SCHEMBL6404493 0.83 CYP2D6 (0.42) SLC6A2SLC6A4SLC6A3KCNH2DRD2
SCHEMBL6403231 0.82 MTNR1B (0.42) DRD3MTNR1B
SCHEMBL6413104 0.79 CNR1 (0.44) MTNR1B
SCHEMBL6405961 0.79 HPGD (0.46) MTNR1B
SCHEMBL6408461 0.78 NAPEPLD (0.38) MTNR1B
SCHEMBL6405842 0.78 PROKR1 (0.50) MTNR1B
SCHEMBL6001636 0.76 DRD2 (0.52) SLC6A3DRD2DRD3MTNR1B
SCHEMBL6405341 0.76 MTNR1B (0.50) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL6406991 0.76 MTNR1B (0.47) DRD2MTNR1B

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 SLC6A2 212/4885SLC6A4 125/4885SLC6A3 196/4885

“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.