SCHEMBL6427450

SCHEMBL6427450

c1ccc2oc(Cc3ncc[nH]3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 7/20 0.54
▸ ADRA2A P08913 3/20 0.54
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ AGXT P21549 1/20 0.44
▸ CYP19A1 P11511 1/20 0.43
▸ CCR2 P41597 3/20 0.43
▸ HTR1A P08908 2/20 0.41
▸ SLC6A4 P31645 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTR2B P41595 1/20 0.38

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
SCHEMBL14075637 0.76 LOXL2 (0.69) ADRA2ALOXL2AGXTCYP19A1HTR1A
SCHEMBL16429505 0.74 CYP11B1 (0.63) ADRA2ALOXL2AGXTCYP19A1HTR1A
SCHEMBL7806512 0.73 LOXL2 (0.60) LOXL2AGXTCYP19A1HTR1ASMN1; SMN2
SCHEMBL8909605 0.73 LOXL2 (0.51) ADRA2ALOXL2AGXTCYP19A1HTR1A
SCHEMBL31720966 0.73 LOXL2 (0.51) ADRA2ALOXL2AGXTCYP19A1CCR2
SCHEMBL9243 0.71 TAAR1 (1.00) TAAR1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL11006245 0.71 ADRA2A (0.45) TAAR1ADRA2AADRA2BADRA2CCCR2
SCHEMBL27582729 0.70 TAAR1 (0.64) TAAR1ADRA2AADRA2BADRA2CHTR1A
SCHEMBL563350 0.70 ADRA2A (1.00) ADRA2AADRA2BADRA2CCYP19A1
SCHEMBL10915640 0.70 ADRA1D (0.54) TAAR1ADRA2AADRA2BADRA2CLOXL2

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
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
EP-0514193-A1 N-linked imidazolyl-methyl benzofuran derivatives with antihypotensive activity GLAXO GROUP LIMITED (GB) 1992-11-19 — — EP 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 TAAR1 415/4885ADRA2A 6/4885ADRA2B 1/4885
US-20020156076-A1 Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B / 2C adrenergic receptors ADRB2, ADRB1, ADRA2B TAAR1 112/4885ADRA2A 8/4885ADRA2B 3/4885

“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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