SCHEMBL6408539

SCHEMBL6408539

COc1cc(N2CCOCC2)ccc1C(=O)Nc1ccc2c(c1)C(N1CCN(C)CC1)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
HCRTR1 O43613 1/20 0.50
MAPT P10636 5/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
HTR1B P28222 4/20 0.45
RAD52 P43351 1/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.44
PDE10A Q9Y233 1/20 0.43
AHR P35869 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL6409730 0.77 CNR1 (0.54) CNR1CNR2MAPTRAB9ANPC1
SCHEMBL6405601 0.75 CTSS (0.52) CNR1CNR2MAPTRAB9ANPC1
SCHEMBL6306897 0.74 CTSS (0.66) CNR1CNR2RAB9ANPC1TP53
SCHEMBL6405291 0.71 CNR1 (0.55) CNR1CNR2MAPTRAB9ANPC1
SCHEMBL6411711 0.71 TP53 (0.57) CNR1CNR2KMT2AMAPTRAB9A
SCHEMBL6407049 0.71 CNR1 (0.56) CNR1CNR2KMT2AMEN1MAPT
SCHEMBL6409520 0.71 CNR1 (0.54) CNR1CNR2MAPTRAB9ANPC1
SCHEMBL6403876 0.70 ADRA1D (0.46) CNR1CNR2HTR1BKCNH2MTNR1B
SCHEMBL6406033 0.70 CTSS (0.51) CNR1CNR2MAPTRAB9ANPC1
SCHEMBL1931343 0.70 HIF1A (0.58) KMT2AMEN1HCRTR1MAPTRAB9A

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 CNR1 48/4885CNR2 66/4885KMT2A 983/4885

“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.