SCHEMBL349903

SCHEMBL349903

c1ccc(-c2csc(Cc3c[nH]cn3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PDPK1 O15530 1/20 0.32
▸ GAA P10253 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ HTR3A P46098 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ EDNRB P24530 1/20 0.30

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
SCHEMBL7797453 0.76 MGMT (0.35) —
Hydrochloric Acid SCHEMBL7809520 0.75 MGMT (0.35) —
SCHEMBL7799483 0.75 — —
SCHEMBL2102562 0.74 HRH3 (0.51) CYP11B1CYP11B2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL28438101 0.73 CYP11B1 (0.42) CYP11B1CYP11B2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL14445598 0.73 CARM1 (0.39) CYP11B1CYP11B2S1PR1HRH3
SCHEMBL4821398 0.71 ADRA1D (0.47) SMN1; SMN2RAB9ATDP1LMNAKDM4E
SCHEMBL6449446 0.71 HRH3 (0.58) CYP11B1CYP11B2HRH3
SCHEMBL649075 0.70 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9ATDP1L3MBTL1
SCHEMBL3176254 0.70 KDM5B (0.36) SMN1; SMN2RAB9APDPK1NPC1KDM5B

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
WO-2013074320-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2013-05-23 — — WO disclosed
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2012-04-05 — — 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-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
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-2008079720-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATNG CHRONIC PAIN ALLERGAN, INC. (US) 2008-07-03 — — 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
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-20080153825-A1 ALPHA-2B RECEPTOR AGONIST AND 5HT4 SEROTONIN RECEPTOR COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN INC. 2008-06-26 — — US disclosed
US-20080153927-A1 ALPHA-2B RECEPTOR AGONIST AND RELAXANT COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ALLERGAN, INC. 2008-06-26 — — US disclosed
US-20080153927-A1 ALPHA-2B RECEPTOR AGONIST AND RELAXANT 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
US-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER 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 (6 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 CYP11B1 630/4885CYP11B2 715/4885ALDH1A1 515/4885
US-20080153881-A1 ALPHA-2B RECEPTOR AGONIST AND ACID REDUCER COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ADRA2B, GPBAR1, MLNR CYP11B1 683/4885CYP11B2 649/4885ALDH1A1 1028/4885
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 CYP11B1 933/4885CYP11B2 901/4885ALDH1A1 831/4885
US-20080153927-A1 ALPHA-2B RECEPTOR AGONIST AND RELAXANT COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS ADRA2B, ADRA1B, CCKBR CYP11B1 979/4885CYP11B2 910/4885ALDH1A1 2024/4885
US-20080153825-A1 ALPHA-2B RECEPTOR AGONIST AND 5HT4 SEROTONIN RECEPTOR COMPOSITIONS FOR TREATING GASTROINTESTINAL MOTILITY DISORDERS HTR2B, HTR4, HTR3B CYP11B1 1468/4885CYP11B2 1664/4885ALDH1A1 2038/4885
US-20080153874-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 CYP11B1 933/4885CYP11B2 901/4885ALDH1A1 831/4885

“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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