SCHEMBL6897370

SCHEMBL6897370

c1ccc2c(c1)-c1ccccc1C2NC1=NCCO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 14/20 0.54
ADRA2B P18089 14/20 0.54
ADRA2C P18825 14/20 0.54
ADRA1A P35348 5/20 0.54
CFB P00751 1/20 0.40
TSHR P16473 2/20 0.38
GMNN O75496 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
OPRK1 P41145 1/20 0.38
HIF1A Q16665 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL6369306 0.74 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL1723548 0.72 ADRA2B (0.84) ADRA2AADRA2BADRA2CADRA1ABCHE
SCHEMBL2215859 0.72 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL3751385 0.71 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL10554892 0.70 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL10555827 0.70 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL1724062 0.70 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1ATSHR
SCHEMBL10680232 0.70 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL4054961 0.66 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1ATSHR
SCHEMBL4564280 0.66 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1A

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
US-6706747-B2 TREATING ELEVATED INTRAOCULAR PRESSURE, DEPRESSION, NON INSULIN-DEPENDENT DIABETES, MALE IMPOTENCE AND OBESITY WHICH IS ALLEVIATED BY TREATMENT WITH AN ALPHA 2 BLOCKING AGENT ALLERGAN, INC. 2004-03-16 US disclosed
US-20030187047-A1 Conformationally rigid bicyclic and adamantane derivatives useful as alpha2-adrenergic blocking agents ALLERGAN SALES, INC. 2003-10-02 US disclosed
US-6569884-B2 Trans-2-(3-phenyl-bicyclo(2.2.1)heptyl)-2-aminooxazoline, for example; treating intraocular pressure, noninsulin-dependent diabetes, male impotence and obesity ALLERGAN 2003-05-27 US disclosed
EP-0724439-B1 USE OF 2-(2ALKYLPHENYLAMINO)OXAZOLINES AND -THIAZOLINES FOR THE MANUFACTURE OF A MEDICAMENT WITH ALPHA 2 ADRENERGIC EFFECT ALLERGAN SALES INC (US) 2003-04-09 EP disclosed
US-20020049241-A1 Conformationally rigid bicyclic and adamantane derivatives useful as alpha2-adrenergic blocking agents ALLERGAN SALES, INC. 2002-04-25 US disclosed
EP-0770068-B1 CONFORMATIONALLY RIGID BICYCLIC AND ADAMANTANE DERIVATIVES USEFUL AS ALPHA 2-ADRENERGIC BLOCKING AGENTS ALLERGAN SALES INC (US) 2001-11-28 EP disclosed
US-6319935-B1 USED IN TREATMENT OF ELEVATED INTRAOCULAR PRESSURE, NON INSULIN-DEPENDENT DIABETES, MALE IMPOTENCE AND OBESITY ALLERGAN SALES, INC. 2001-11-20 US disclosed
US-6150389-A ANTIDEPRESSANTS; TREATING ELEVATED INTRAOCULAR PRESSURE, E.G., GLAUCOMA; ANTIDIABETIC AGENTS FOR NON-INSULIN DEPENDENT DIABETES, SEXUAL DISORDERS, E.G., MALE IMPOTENCE AND OBESITY; E.G. TRANS-2-(3-PHENYL-BICYCLO(2.2.1)HEPTYL)-2-AMINOOXAZOLINE ALLERGAN SALES, INC. (US) 2000-11-21 US disclosed
US-5731337-A Conformationally rigid bicycle and adamantane derivatives useful as α2 ALLERGAN (US) 1998-03-24 US disclosed
US-5708015-A SENSITIVE ALPHA 2 ADRENERGIC RECEPTORS ALLERGAN (US) 1998-01-13 US disclosed
US-5580892-A ANTIDIARRHETIC, ANTISPASTIC, ANTIEPILEPTIC AGENTS; DIURETICS ALLERGAN 1996-12-03 US disclosed
EP-0724439-A1 USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS Allergan (US) 1996-08-07 EP disclosed
WO-1995011021-A1 USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN (US) 1995-04-27 WO disclosed
US-5252595-A Method for reducing or maintaining intraocular pressure in the mammalian eye by administering pharmaceutical compositions containing 2-(2-alkylphenylamino)-oxazolines, 2-(2-alkylphenylamino)-thiazolines and 2-(2-alkylphenylamino)-imidazolines ALLERGAN, INC. (US) 1993-10-12 US disclosed
US-5151440-A Treatment of glaucoma ALLERGAN, INC. (US) 1992-09-29 US disclosed
US-5066664-A Control of intraocular bleeding and pressure ALLERGAN, INC. (US) 1991-11-19 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 (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-20020049241-A1 Conformationally rigid bicyclic and adamantane derivatives useful as alpha2-adrenergic blocking agents ADRB2, ADRB1, ADRA1B ADRA2A 8/4885ADRA2B 9/4885ADRA2C 7/4885
US-20030187047-A1 Conformationally rigid bicyclic and adamantane derivatives useful as alpha2-adrenergic blocking agents ADRB2, ADRB1, ADRA1B ADRA2A 8/4885ADRA2B 9/4885ADRA2C 7/4885

“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.