SCHEMBL6408461

SCHEMBL6408461

CN1CCN(C2CCCc3ccc(C4CCCN(c5cccc(N6CCOCC6)n5)C4)cc32)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CXCR4 P61073 2/20 0.35
BTK Q06187 1/20 0.35
PRKDC P78527 3/20 0.35
ACACB O00763 2/20 0.34
MTNR1B P49286 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL6409562 0.78 SLC6A2 (0.50) MTNR1B
SCHEMBL6413104 0.76 CNR1 (0.44) CNR1CNR2MTNR1B
SCHEMBL6403192 0.73 QDPR (0.47) CNR1CNR2MTNR1B
SCHEMBL6406808 0.72 CNR2 (0.51) CNR1CNR2
SCHEMBL6404493 0.70 CYP2D6 (0.42) MTNR1B
SCHEMBL6403231 0.70 MTNR1B (0.42) CNR1CNR2MTNR1B
SCHEMBL6409737 0.69 CNR1 (0.41) CNR1CNR2BTKMTNR1BOPRM1
SCHEMBL6405006 0.68 CTSS (0.48) MTNR1BOPRM1OPRD1HRH4
SCHEMBL6405961 0.67 HPGD (0.46) MTNR1B
SCHEMBL6409730 0.66 CNR1 (0.54) CNR1CNR2

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
WO-2005113527-A1 TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS PFIZER PRODUCTS INC. (US) 2005-12-01 WO claimed
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 NAPEPLD 953/4885CNR1 48/4885CNR2 66/4885

“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.