SCHEMBL6816357

SCHEMBL6816357

CCc1ccc(N2CCN(C)CC2)c2c1CC[C@@H](NC(=O)c1ccc(C(=O)N3CCOCC3)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.44
▸ SCN9A Q15858 2/20 0.44
▸ HPGDS O60760 5/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ PRMT5 O14744 4/20 0.41
▸ DRD2 P14416 3/20 0.41
▸ HTR2A P28223 3/20 0.41
▸ DRD3 P35462 3/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ WDR5 P61964 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 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
SCHEMBL7175482 1.00 KCNH2 (0.44) KCNH2SCN9AHPGDSHRH3PRMT5
SCHEMBL6823150 0.91 DRD2 (0.48) KCNH2SCN9ADRD2HTR2ADRD3
SCHEMBL6816571 0.91 DRD2 (0.48) KCNH2SCN9ADRD2HTR2ADRD3
SCHEMBL7246436 0.88 HPGDS (0.41) KCNH2SCN9AHPGDSHRH3PRMT5
SCHEMBL7246432 0.88 HPGDS (0.41) KCNH2SCN9AHPGDSHRH3PRMT5
SCHEMBL6816677 0.88 SMN1; SMN2 (0.42) KCNH2SCN9AHPGDS
SCHEMBL6820035 0.87 MTNR1A (0.47) KCNH2SCN9AHPGDSPRMT5DRD2
SCHEMBL6820059 0.87 MTNR1A (0.47) KCNH2SCN9AHPGDSPRMT5DRD2
SCHEMBL7024691 0.84 KCNH2 (0.48) KCNH2SCN9AHPGDSHRH3PRMT5
SCHEMBL7023935 0.84 KCNH2 (0.48) KCNH2SCN9AHPGDSHRH3PRMT5

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 17 patents. 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-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
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
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-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 — — US disclosed
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 disclosed
US-6159971-A Combination of a 5-HT reuptake inhibitor and a h5-HT1B anatagonist or partial agonist ASTRAZENECA AB (SE) 2000-12-12 — — US disclosed
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 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-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-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 KCNH2 2034/4885SCN9A 635/4885HPGDS 2259/4885

“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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