SCHEMBL6449446

SCHEMBL6449446

c1ccc(-c2csc(Cc3cnc[nH]3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.58
▸ ADRA1D P25100 7/20 0.55
▸ TAAR1 Q96RJ0 2/20 0.53
▸ CYP2D6 P10635 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL27554580 0.76 ADRA1D (0.58) HRH3ADRA1DHRH4
SCHEMBL2626857 0.74 HRH3 (1.00) HRH3TAAR1CYP2D6HRH4
SCHEMBL27551588 0.71 ADRA1D (1.00) HRH3ADRA1DTAAR1HRH4
SCHEMBL349903 0.71 CYP11B1 (0.42) HRH3CYP11B1CYP11B2
SCHEMBL6375451 0.70 CYP11B1 (0.49) CYP11B1CYP11B2
SCHEMBL2626853 0.69 HRH3 (0.59) HRH3ADRA1DTAAR1CYP2D6CYP11B1
SCHEMBL10217408 0.69 HRH3 (0.69) HRH3ADRA1DTAAR1CYP2D6HRH4
SCHEMBL988896 0.67 CYP11B1 (0.49) CYP11B1CYP11B2
SCHEMBL12531530 0.67 CYP11B1 (0.49) CYP11B1CYP11B2
SCHEMBL987523 0.67 CYP11B1 (0.49) CYP11B1CYP11B2

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 14 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
US-6841684-B2 For therapy of chronic pain, glaucoma or elevated intraocular pressure and other diseases with substantially reduced cardiovascular or sedative side effects ALLERGAN, INC. (US) 2005-01-11 — — US disclosed
EP-1036065-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES HAVING AGONIST-LIKE ACTIVITY AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN INC (US) 2004-05-12 — — EP disclosed
EP-1413576-A2 Substituted imidazole derivatives having agonist-like activity at alpha 2B or 2B/2C adrenergic receptors Allergan, Inc. (US) 2004-04-28 — — EP disclosed
EP-1370533-A2 IMIDIAZOLE DERIVATIVES AND THEIR USE AS AGONISTS SELECTIVE AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS Allergan, Inc. (US) 2003-12-17 — — EP disclosed
US-20030023098-A1 Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B/2C adrenergic receptors ALLERGAN SALES, INC. 2003-01-30 — — US disclosed
US-20020156076-A1 Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B / 2C adrenergic receptors ALLERGAN SALES, INC. 2002-10-24 — — US disclosed
WO-2002076950-A2 IMIDIAZOLE DERIVATIVES AND THEIR USE AS AGONISTS SELECTIVE AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2002-10-03 — — WO disclosed
US-6329369-B1 ANALGESICS FOR TREATING GLAUCOMA OR ELEVATED PRESSURE AND OTHER DISEASES WITH REDUCED SIDE EFFECTS BY TREATING A MAMMAL IN NEED THEREOF AN AGONIST OF ALPHA 2B OR ALPHA 2B/2C ADRENERGIC RECEPTOR ALLERGAN SALES, INC. 2001-12-11 — — US disclosed
EP-1104407-A1 COMPOUNDS AS SELECTIVE AGONISTS AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS Allergan Sales, Inc. (US) 2001-06-06 — — EP disclosed
CN-1284066-A Substituted imidazole derivatives having agonist-like activity at alpha 2B or 2B/2C adrenergic receptors ALLERGEN SALES INC (US) 2001-02-14 — — CN disclosed
WO-2001000586-A1 COMPOUNDS AS SELECTIVE AGONISTS AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN SALES, INC. (US) 2001-01-04 — — WO disclosed
EP-1036065-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES HAVING AGONIST-LIKE ACTIVITY AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS Allergan Sales, Inc. (US) 2000-09-20 — — EP disclosed
WO-1999028300-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES HAVING AGONIST-LIKE ACTIVITY AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN SALES, INC. (US) 1999-06-10 — — 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 (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-20030023098-A1 Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B/2C adrenergic receptors ADRA2B, ADRB2, ADRA2C HRH3 773/4885ADRA1D 9/4885TAAR1 415/4885
US-20020156076-A1 Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B / 2C adrenergic receptors ADRB2, ADRB1, ADRA2B HRH3 99/4885ADRA1D 9/4885TAAR1 112/4885

“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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