SCHEMBL7246702

SCHEMBL7246702

CCCCOc1ccc(C(=O)N[C@@H]2CCc3c(O)ccc(N4CCN(C)CC4)c3C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.63
SCN9A Q15858 2/20 0.63
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TAOK3 Q9H2K8 3/20 0.49
TAOK1 Q7L7X3 2/20 0.49
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
CNR2 P34972 1/20 0.45
SCN5A Q14524 1/20 0.45
SLC6A5 Q9Y345 2/20 0.45
TP53 P04637 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 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
SCHEMBL7246706 1.00 KCNH2 (0.63) KCNH2SCN9AGAAMAPTHPGD
SCHEMBL7020765 0.86 KCNH2 (0.72) KCNH2SCN9AGAAMAPTHPGD
SCHEMBL7028131 0.86 KCNH2 (0.72) KCNH2SCN9AGAAMAPTHPGD
SCHEMBL7020770 0.86 KCNH2 (0.72) KCNH2SCN9AGAAMAPTHPGD
SCHEMBL7246878 0.84 NPC1 (0.47) KCNH2SCN9ASCN5AHRH2HRH1
SCHEMBL7246874 0.84 NPC1 (0.47) KCNH2SCN9ASCN5AHRH2HRH1
SCHEMBL7239754 0.80 USP30 (0.49) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL7239758 0.80 USP30 (0.49) KCNH2SCN9ASCN5ADRD2HTR2A
SCHEMBL4830466 0.78 SCN9A (1.00) KCNH2SCN9AGAAMAPTHPGD
SCHEMBL4834375 0.78 SCN9A (1.00) KCNH2SCN9AGAAMAPTHPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000048-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-27 EP claimed
US-20010051623-A1 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxytryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic ASTRAZENECA AB (SE) 2001-12-13 US claimed
US-20010051626-A1 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxy-tryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic ASTRAZENECA AB (SE) 2001-12-13 US claimed
US-6313118-B1 HYDROXYTRYPTAMINE RECEPTOR ANTAGONISTS ASTRA AKTIEBOLAG (SE) 2001-11-06 US claimed
EP-1000048-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 2000-05-17 EP claimed
WO-1999005134-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1999-02-04 WO claimed
US-6534652-B2 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxytryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic ASTRAZENECA AB (SE) 2003-03-18 US disclosed
EP-1000048-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-27 EP disclosed
US-6410532-B2 8-(PIPERIDIN-4-YL- OR PIPERAZIN-1-YL)-2-SUBSTITUTED-TETRALIN DERIVATIVES; SELECTIVE EFFECT AT A SUBGROUP OF 5-HYDROXY-TRYPTAMINE RECEPTORS, H5-HT1B RECEPTORS (PREVIOUSLY 5-HT1D BETA); ANTAGONISTS; MOOD DISORDERS, ANTIANXIOLYTIC ASTRAZENECA AB (SE) 2002-06-25 US disclosed
US-20010051623-A1 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxytryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic ASTRAZENECA AB (SE) 2001-12-13 US disclosed
US-20010051626-A1 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxy-tryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic ASTRAZENECA AB (SE) 2001-12-13 US disclosed
US-6313118-B1 HYDROXYTRYPTAMINE RECEPTOR ANTAGONISTS ASTRA AKTIEBOLAG (SE) 2001-11-06 US disclosed
EP-1000048-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 2000-05-17 EP disclosed
WO-1999005134-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1999-02-04 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 (2 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-20010051623-A1 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxytryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic HTR1D, HTR1F, HTR2C KCNH2 367/4885SCN9A 446/4885GAA 4116/4885
US-20010051626-A1 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxy-tryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic HTR1D, HTR1F, HTR2C KCNH2 390/4885SCN9A 495/4885GAA 3620/4885

“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.