SCHEMBL6816422

SCHEMBL6816422

COc1ccc(N2CCN(C)CC2)c2c1CCC(C(=O)Nc1ccc(N3CCOCC3)cc1)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 6/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ MAPT P10636 8/20 0.52
▸ ALDH1A1 P00352 5/20 0.50
▸ HTR1A P08908 4/20 0.50
▸ HTR1D P28221 4/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HTR2C P28335 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ MTOR P42345 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAD52 P43351 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HPGD P15428 1/20 0.45

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
SCHEMBL6816404 1.00 HTR1B (0.58) HTR1BKCNH2MAPTALDH1A1HTR1A
SCHEMBL6816431 1.00 HTR1B (0.58) HTR1BKCNH2MAPTALDH1A1HTR1A
SCHEMBL6823346 0.90 KMT2A (0.53) HTR1BKCNH2ALDH1A1HTR1AHTR1D
SCHEMBL6820517 0.90 KMT2A (0.53) HTR1BKCNH2ALDH1A1HTR1AHTR1D
SCHEMBL6820391 0.86 MAPT (0.56) HTR1BKCNH2MAPTALDH1A1NPC1
SCHEMBL7062951 0.86 HTR1B (0.52) HTR1BKCNH2MAPTALDH1A1HTR1A
SCHEMBL7063234 0.86 HTR1B (0.52) HTR1BKCNH2MAPTALDH1A1HTR1A
SCHEMBL7063741 0.86 HTR1B (0.52) HTR1BKCNH2MAPTALDH1A1HTR1A
SCHEMBL6820063 0.85 HTR1B (0.53) HTR1BKCNH2MAPTALDH1A1HTR1A
SCHEMBL6816583 0.83 MAPT (0.52) HTR1BKCNH2MAPTALDH1A1NPC1

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 28 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-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-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-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-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
EP-1014986-A1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT 1 BETA ANTAGONIST OR PARTIAL AGONIST AstraZeneca AB (SE) 2000-07-05 — — EP disclosed
EP-1000048-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 2000-05-17 — — EP disclosed
WO-1999013878-A1 A COMBINATION OF A MONOAMINE OXIDASE INHIBITOR AND A h5-HT1B ANTAGONIST OR PARTIAL AGONIST ASTRAZENECA AB (SE) 1999-03-25 — — WO 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-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 HTR1B 6/4885KCNH2 390/4885MAPT 3250/4885

“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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