SCHEMBL6428907

SCHEMBL6428907

IC[C@@H]1CCc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
PLAU P00749 1/20 0.50
HTR1A P08908 3/20 0.49
SIGMAR1 Q99720 2/20 0.49
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
GRIN2B Q13224 3/20 0.43
GBA1 P04062 1/20 0.43
ANPEP P15144 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PREP P48147 1/20 0.40

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
SCHEMBL6427588 1.00 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL6427595 1.00 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL1800050 0.84 IDO1 (0.47) CYP19A1PLAUSIGMAR1
SCHEMBL9935276 0.83 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL2525694 0.80 CYP19A1 (0.51) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL1689733 0.79 PLAU (0.55) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL6570371 0.79 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL599314 0.79 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL1689635 0.79 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1
SCHEMBL15701675 0.79 CYP19A1 (0.54) CYP19A1PLAUHTR1ASIGMAR1OPRM1

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 13 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

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 CYP19A1 1653/4885PLAU 4285/4885HTR1A 71/4885
US-20020156076-A1 Compounds and method of treatment having agonist-like activity selective at alpha 2B or 2B / 2C adrenergic receptors ADRB2, ADRB1, ADRA2B CYP19A1 847/4885PLAU 4245/4885HTR1A 80/4885

“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.