SCHEMBL346472

SCHEMBL346472

c1ccc2c(c1)CC[C@@H](Cc1c[nH]cn1)C2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.54
HTR1A P08908 3/20 0.42
SIGMAR1 Q99720 2/20 0.42
GBA1 P04062 1/20 0.39
PLAU P00749 1/20 0.39
GRIN2B Q13224 2/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
HTR1D P28221 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL1339080 1.00 CYP19A1 (0.54) CYP19A1HTR1ASIGMAR1GBA1PLAU
SCHEMBL337755 1.00 CYP19A1 (0.54) CYP19A1HTR1ASIGMAR1GBA1PLAU
SCHEMBL348914 0.93 CYP19A1 (0.47) CYP19A1HTR1ASIGMAR1GBA1PLAU
SCHEMBL7799472 0.91 CYP19A1 (0.46) CYP19A1HTR1ASIGMAR1ADRA1AADRA2A
SCHEMBL1338025 0.85 DRD2 (0.43) CYP19A1GRIN2B
SCHEMBL7801950 0.83 CYP19A1 (0.46) CYP19A1HTR1ASIGMAR1
SCHEMBL7799520 0.83 CYP19A1 (0.46) CYP19A1HTR1ASIGMAR1
SCHEMBL12092459 0.83 CYP19A1 (0.40) CYP19A1GRIN2B
SCHEMBL1758076 0.83 CYP19A1 (0.40) CYP19A1GRIN2B
SCHEMBL12092438 0.83 CYP19A1 (0.40) CYP19A1GRIN2B

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370533-B1 IMIDIAZOLE DERIVATIVES AND THEIR USE AS AGONISTS SELECTIVE AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN INC (US) 2015-05-06 EP disclosed
WO-2013074320-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2013-05-23 WO disclosed
US-20120190719-A1 METHODS OF TREATING MOTOR DISORDERS WITH ALPHA-2B ANDRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. (US) 2012-07-26 US disclosed
US-20120190719-A1 METHODS OF TREATING MOTOR DISORDERS WITH ALPHA-2B ANDRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. (US) 2012-07-26 US disclosed
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2012-04-05 US disclosed
EP-2428207-A1 Alpha-2B adrenergic receptor agonist and serotonin-norepinephrine reuptake inhibitor compositions for treating chronic pain Allergan, Inc. (US) 2012-03-14 EP disclosed
US-20110160265-A1 METHOD OF TREATING MOTOR DISORDERS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS LUHRS LAUREN M B 2011-06-30 US disclosed
US-20110160265-A1 METHOD OF TREATING MOTOR DISORDERS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS LUHRS LAUREN M B 2011-06-30 US disclosed
US-20100016355-A1 ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN GIL DANIEL W 2010-01-21 US disclosed
WO-2009052075-A2 METHOD OF TREATING MOTOR DISORDERS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. (US) 2009-04-23 WO disclosed
WO-2008079728-A2 ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2008-07-03 WO disclosed
WO-2008079720-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATNG CHRONIC PAIN ALLERGAN, INC. (US) 2008-07-03 WO disclosed
US-20080153927-A1 ALPHA-2B RECEPTOR AGONIST AND RELAXANT COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN, INC. 2008-06-26 US disclosed
US-20080153825-A1 ALPHA-2B RECEPTOR AGONIST AND 5HT4 SEROTONIN RECEPTOR COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN INC. 2008-06-26 US disclosed
US-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN, INC. 2008-06-26 US disclosed
US-20080153874-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN INC. 2008-06-26 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 (8 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-20100016355-A1 ALPHA-2B ADRENERGIC RECEPTOR AGONIST AND SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITOR COMPOSITIONS FOR TREATING CHRONIC PAIN ADRA2B, ADRA1B, ADRB1 CYP19A1 1799/4885HTR1A 15/4885SIGMAR1 49/4885
US-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ADRA2B, GPBAR1, MLNR CYP19A1 2725/4885HTR1A 184/4885SIGMAR1 174/4885
US-20110160265-A1 METHOD OF TREATING MOTOR DISORDERS WITH ALPHA-2B ADRENERGIC RECEPTOR AGONISTS ADRA2B, ADRA2A, ADRA2C CYP19A1 2581/4885HTR1A 68/4885SIGMAR1 112/4885
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 CYP19A1 1767/4885HTR1A 191/4885SIGMAR1 201/4885
US-20080153927-A1 ALPHA-2B RECEPTOR AGONIST AND RELAXANT COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ADRA2B, ADRA1B, CCKBR CYP19A1 2279/4885HTR1A 84/4885SIGMAR1 353/4885
US-20080153825-A1 ALPHA-2B RECEPTOR AGONIST AND 5HT4 SEROTONIN RECEPTOR COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS HTR2B, HTR4, HTR3B CYP19A1 2953/4885HTR1A 5/4885SIGMAR1 175/4885
US-20080153874-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 CYP19A1 1767/4885HTR1A 191/4885SIGMAR1 201/4885
US-20120190719-A1 METHODS OF TREATING MOTOR DISORDERS WITH ALPHA-2B ANDRENERGIC RECEPTOR AGONISTS CHRNB2, HTR2B, CHRNA2 CYP19A1 2492/4885HTR1A 32/4885SIGMAR1 85/4885

“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.