SCHEMBL7246436

SCHEMBL7246436

CN1CCN(c2ccc(Br)c3c2CC(NC(=O)c2ccc(C(=O)N4CCOCC4)cc2)CC3)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ SCN9A Q15858 2/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ WDR5 P61964 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ DRD2 P14416 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ PRMT5 O14744 2/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ L3MBTL3 Q96JM7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ BMPR1B O00238 1/20 0.39
▸ BMPR1A P36894 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ ACVRL1 P37023 1/20 0.39

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
SCHEMBL7246432 1.00 HPGDS (0.41) HPGDSKCNH2SCN9ASCN5AWDR5
SCHEMBL6820482 0.91 USP30 (0.48) KCNH2SCN9ASCN5AWDR5KMT2A
SCHEMBL6820304 0.91 USP30 (0.48) KCNH2SCN9ASCN5AWDR5KMT2A
SCHEMBL7175482 0.88 KCNH2 (0.44) HPGDSKCNH2SCN9ASCN5AWDR5
SCHEMBL6816357 0.88 KCNH2 (0.44) HPGDSKCNH2SCN9ASCN5AWDR5
SCHEMBL6820035 0.88 MTNR1A (0.47) HPGDSKCNH2SCN9ASCN5AKMT2A
SCHEMBL6820059 0.88 MTNR1A (0.47) HPGDSKCNH2SCN9ASCN5AKMT2A
SCHEMBL7023935 0.85 KCNH2 (0.48) HPGDSKCNH2SCN9ASCN5AKMT2A
SCHEMBL7024691 0.85 KCNH2 (0.48) HPGDSKCNH2SCN9ASCN5AKMT2A
SCHEMBL6819857 0.83 KCNH2 (0.47) KCNH2SCN9ASCN5ADRD2HTR2A

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 12 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
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 HPGDS 3817/4885KCNH2 367/4885SCN9A 446/4885
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 HPGDS 3979/4885KCNH2 390/4885SCN9A 495/4885

“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.

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