SCHEMBL6820528

SCHEMBL6820528

O=C(NC1CCc2c(Br)ccc(N3CCNCC3)c2C1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.48
▸ DRD2 P14416 5/20 0.41
▸ HTR2A P28223 5/20 0.41
▸ DRD3 P35462 5/20 0.41
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HPGDS O60760 1/20 0.37

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
SCHEMBL6816435 1.00 USP30 (0.48) USP30DRD2HTR2ADRD3HDAC8
SCHEMBL6820482 0.89 USP30 (0.48) USP30DRD2HTR2ADRD3HDAC8
SCHEMBL6820304 0.89 USP30 (0.48) USP30DRD2HTR2ADRD3HDAC8
SCHEMBL7236951 0.89 USP30 (0.48) USP30DRD2HTR2ADRD3FLT3
SCHEMBL7236946 0.89 USP30 (0.48) USP30DRD2HTR2ADRD3FLT3
SCHEMBL6820526 0.84 USP30 (0.49) USP30DRD2HTR2ADRD3HDAC8
SCHEMBL6820477 0.84 USP30 (0.49) USP30DRD2HTR2ADRD3HDAC8
SCHEMBL6816884 0.83 GPR119 (0.48) USP30DRD2HTR2ADRD3KMT2A
SCHEMBL6816888 0.83 GPR119 (0.48) USP30DRD2HTR2ADRD3KMT2A
SCHEMBL7246432 0.80 HPGDS (0.41) USP30DRD2HTR2ADRD3KMT2A

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014986-B1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT 1 BETA ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-07-14 — — EP claimed
EP-1021183-B1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-03-17 — — EP claimed
EP-1014985-B1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A H5-HT 1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2003-05-21 — — EP claimed
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-6313118-B1 HYDROXYTRYPTAMINE RECEPTOR ANTAGONISTS ASTRA AKTIEBOLAG (SE) 2001-11-06 — — US claimed
US-6159970-A Combination of a monoamine oxidase inhibitor and a h5-HT1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 — — US claimed
US-6159972-A Combination of a selective 5-HT1A antagonist and a selective ub. h5-HT.s1B antagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 — — US claimed
EP-1021183-A1 A COMBINATION OF A SELECTIVE 5-HT 1A? ANTAGONIST AND A SELECTIVE h5-HT 1B? ANTAGONIST OR PARTIAL AGONIST AstraZeneca AB (SE) 2000-07-26 — — EP claimed
EP-1000048-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 2000-05-17 — — EP claimed
WO-1999013876-A1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 1999-03-25 — — WO claimed
WO-1999005134-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1999-02-04 — — WO claimed
EP-1014986-B1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT 1 BETA ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-07-14 — — EP disclosed
EP-1021183-B1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2004-03-17 — — EP disclosed
EP-1014985-B1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A H5-HT 1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 2003-05-21 — — EP disclosed
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-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 2000-05-17 — — EP disclosed
WO-1999013876-A1 A COMBINATION OF A SELECTIVE 5-HT1A ANTAGONIST AND A SELECTIVE h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 1999-03-25 — — WO disclosed
WO-1999013877-A1 A COMBINATION OF A 5-HT REUPTAKE INHIBITOR AND A h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 1999-03-25 — — WO 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 (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-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 USP30 4707/4885DRD2 49/4885HTR2A 13/4885

“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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