SCHEMBL6820459

SCHEMBL6820459

Oc1cccc2c1C[C@H](N(Cc1ccccc1)Cc1ccccc1)CC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.65
HTR7 P34969 3/20 0.65
DRD2 P14416 3/20 0.65
HTR1D P28221 2/20 0.65
DRD3 P35462 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP2D6 P10635 2/20 0.65
TSHR P16473 2/20 0.65
HTR1B P28222 1/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
ADRA1A P35348 1/20 0.65
ADRA1B P35368 1/20 0.65
HTR2B P41595 1/20 0.65
HTR5A P47898 1/20 0.65
BLM P54132 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
PMP22 Q01453 1/20 0.64
CHRM3 P20309 1/20 0.61

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
SCHEMBL7023248 1.00 HTR1A (0.65) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL8158925 1.00 HTR1A (0.65) HTR1AHTR7DRD2HTR1DDRD3
Bromide SCHEMBL4750964 0.99 BLM (0.66) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL3736504 0.90 DRD2 (0.79) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL7024427 0.89 DRD2 (0.68) HTR1AHTR7DRD2DRD3CYP1A2
SCHEMBL7029720 0.89 DRD2 (0.68) HTR1AHTR7DRD2DRD3CYP1A2
SCHEMBL841199 0.83 DRD2 (0.51) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL841912 0.83 DRD2 (0.51) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL6820475 0.83 DRD2 (0.51) HTR1AHTR7DRD2HTR1DDRD3
SCHEMBL841913 0.83 DRD2 (0.51) HTR1AHTR7DRD2HTR1DDRD3

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 15 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 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-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-6410530-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-06-25 US 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
US-6291458-B1 Morpholinobenzamide salts ASTRAZENECA AB (SE) 2001-09-18 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-6159970-A Combination of a monoamine oxidase inhibitor and a h5-HT1B 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
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 US 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 HTR1A 5/4885HTR7 10/4885DRD2 49/4885
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 HTR1A 4/4885HTR7 8/4885DRD2 52/4885

“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.