SCHEMBL6409567

SCHEMBL6409567

Fc1cnc(NCCOc2ccc3c(c2)C(N2CCNCC2)CCC3)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.42
SIGMAR1 Q99720 1/20 0.38
SLC6A9 P48067 3/20 0.37
KCNH2 Q12809 2/20 0.37
SLC6A5 Q9Y345 1/20 0.37
HRH3 Q9Y5N1 4/20 0.36
CYP2D6 P10635 1/20 0.36
MTNR1A P48039 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL6408320 0.90 MTNR1B (0.45) MTNR1BSIGMAR1SLC6A9KCNH2SLC6A5
SCHEMBL6406522 0.82 MTNR1B (0.49) MTNR1BMTNR1A
SCHEMBL6406051 0.74 MTNR1B (0.47) MTNR1BSLC6A5MTNR1A
SCHEMBL5871250 0.73 MTNR1B (0.64) MTNR1BSIGMAR1MTNR1A
SCHEMBL8655525 0.72 MTNR1B (0.53) MTNR1BSIGMAR1SLC6A9KCNH2HRH3
SCHEMBL22411105 0.71 MAOA (0.47) MTNR1BSIGMAR1KCNH2SLC6A5HRH3
SCHEMBL8652211 0.70 MTNR1B (0.52) MTNR1BSIGMAR1MTNR1A
SCHEMBL8649531 0.70 MTNR1B (0.52) MTNR1BSIGMAR1SLC6A9KCNH2MTNR1A
SCHEMBL6405994 0.69 GRIN1 (0.45) MTNR1BSIGMAR1HRH3CYP2D6
SCHEMBL6408435 0.68 ADRA1D (0.41) MTNR1BSIGMAR1SLC6A9KCNH2SLC6A5

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 2 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 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 63/4885SIGMAR1 91/4885SLC6A9 2118/4885

“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.